data_2rr9_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 2rr9 _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 . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.722 0.296 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.346 0.593 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.935 0.398 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.848 0.356 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.903 0.382 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.907 0.384 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.66 0.267 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.678 0.275 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 122.402 1.096 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.949 0.404 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.96 159.55 40.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -138.89 -101.51 0.17 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.914 0.886 . . . . 0.0 111.235 169.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 pp -152.13 165.93 33.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 63.38 156.01 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.665 2.386 . . . . 0.0 114.595 -170.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.37 35.54 2.21 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.757 1.646 . . . . 0.0 113.592 -171.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 C-N-CA 123.834 0.731 . . . . 0.0 112.474 -174.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.25 -174.1 3.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 58.28 -139.95 0.78 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.839 1.656 . . . . 0.0 111.618 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 tp -154.77 157.27 37.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.976 2.11 . . . . 0.0 109.691 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -24.34 66.7 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.66 149.92 24.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.741 1.162 . . . . 0.0 114.193 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.207 0 C-N-CA 125.445 1.498 . . . . 0.0 112.736 178.676 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -125.59 135.22 51.98 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.115 1.366 . . . . 0.0 110.32 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.74 -51.65 39.06 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -160.84 109.37 1.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.2 1.0 . . . . 0.0 110.802 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.02 -3.21 58.93 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -76.74 155.17 83.33 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 125.248 1.419 . . . . 0.0 111.525 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -64.77 121.0 8.39 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.538 2.159 . . . . 0.0 111.309 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.873 2.069 . . . . 0.0 111.49 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.18 54.48 4.04 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -75.67 -30.84 59.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.872 1.269 . . . . 0.0 113.193 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.87 156.59 42.33 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.854 1.662 . . . . 0.0 111.784 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 52.9 -144.0 0.67 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.015 1.726 . . . . 0.0 111.955 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.1 155.48 31.76 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.483 1.516 . . . . 0.0 113.156 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 C-N-CA 124.186 0.898 . . . . 0.0 111.653 -176.469 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt -128.89 156.44 43.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.98 -56.74 2.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.211 1.004 . . . . 0.0 113.214 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.4 mt -145.89 146.75 31.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.322 1.449 . . . . 0.0 111.369 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -109.11 -8.83 15.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.351 1.46 . . . . 0.0 113.387 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.35 -154.78 19.93 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.488 1.518 . . . . 0.0 112.521 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 C-N-CA 125.287 1.423 . . . . 0.0 114.001 176.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 119.912 -0.09 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -136.43 142.18 43.64 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.552 1.141 . . . . 0.0 112.513 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.63 -38.2 86.79 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -132.85 51.74 2.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.638 1.575 . . . . 0.0 110.502 -174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.11 -16.63 64.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.562 1.145 . . . . 0.0 113.974 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -116.08 149.99 44.36 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.996 2.118 . . . . 0.0 110.585 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.59 145.76 87.78 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.249 2.633 . . . . 0.0 113.035 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.245 1.818 . . . . 0.0 111.55 -178.505 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.19 -179.15 3.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 59.04 75.47 0.4 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.431 1.892 . . . . 0.0 113.218 173.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.71 -177.49 3.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.985 1.714 . . . . 0.0 112.113 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -56.55 -32.76 65.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.857 1.663 . . . . 0.0 115.262 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.67 -139.57 41.41 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-N 118.641 0.655 . . . . 0.0 112.152 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.79 0 C-N-CA 123.997 0.808 . . . . 0.0 114.053 173.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -121.07 136.72 54.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -125.73 114.63 18.89 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.013 0.925 . . . . 0.0 111.593 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -160.69 169.45 22.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.246 2.618 . . . . 0.0 109.355 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -141.58 145.86 35.57 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.092 0.957 . . . . 0.0 111.427 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.78 -21.64 1.47 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.417 1.008 . . . . 0.0 115.143 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 CA-C-O 118.237 -1.313 . . . . 0.0 113.276 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -136.53 132.74 35.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.148 1.379 . . . . 0.0 110.021 169.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -71.08 -37.87 72.43 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 56.2 p -145.41 71.85 1.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.909 1.284 . . . . 0.0 111.138 -173.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.8 t -78.02 -43.25 29.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.237 0.615 . . . . 0.0 112.067 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -87.19 -55.62 0.35 Allowed Pre-proline 0 N--CA 1.48 1.033 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.697 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.78 166.16 29.91 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.559 2.173 . . . . 0.0 112.576 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.255 1.383 0 C-N-CA 126.007 1.723 . . . . 0.0 113.609 -175.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.14 151.69 31.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -148.86 30.39 0.8 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 mt 55.34 -149.34 0.45 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.329 1.452 . . . . 0.0 111.955 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 52.4 48.15 23.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.205 1.802 . . . . 0.0 113.948 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.8 -32.42 84.11 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 123.982 0.801 . . . . 0.0 114.607 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.622 0 C-N-CA 124.556 1.074 . . . . 0.0 112.324 171.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.58 139.33 52.82 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -121.55 118.74 30.03 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.708 1.203 . . . . 0.0 111.444 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.71 152.27 23.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.657 1.583 . . . . 0.0 110.928 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -137.17 156.09 48.76 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.15 1.78 . . . . 0.0 111.178 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.65 -172.28 53.97 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.243 0.925 . . . . 0.0 113.826 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.307 1.432 . . . . 0.0 113.825 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t -119.98 130.38 54.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.926 1.29 . . . . 0.0 109.788 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -74.06 -23.04 59.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 7.4 t -131.29 50.71 2.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.271 1.829 . . . . 0.0 109.859 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.86 -20.68 60.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.389 1.076 . . . . 0.0 113.303 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -70.73 158.85 87.03 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 125.304 1.442 . . . . 0.0 111.794 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.04 64.97 8.38 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 C-N-CA 124.009 3.139 . . . . 0.0 111.723 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.361 1.864 . . . . 0.0 113.056 178.778 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp -104.49 140.99 37.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -144.01 -176.28 4.93 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.715 2.006 . . . . 0.0 110.573 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.43 34.66 4.78 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -73.03 165.98 23.97 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.461 -0.774 . . . . 0.0 112.554 170.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.24 -22.5 31.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 126.022 1.772 . . . . 0.0 116.078 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.541 0 C-N-CA 124.827 1.203 . . . . 0.0 112.743 176.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.27 146.72 42.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -80.21 170.21 16.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.866 1.266 . . . . 0.0 111.499 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.03 161.77 6.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.305 1.042 . . . . 0.0 112.438 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 62.41 21.99 12.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.993 1.717 . . . . 0.0 114.276 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.82 -27.32 24.4 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.716 1.15 . . . . 0.0 114.676 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 C-N-CA 125.784 1.659 . . . . 0.0 112.856 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t -141.91 137.03 31.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.89 1.276 . . . . 0.0 111.246 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -77.6 -34.66 53.38 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -133.0 53.74 2.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.936 1.295 . . . . 0.0 112.11 -169.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.1 p -77.53 -13.53 59.89 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.28 151.7 81.22 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.18 0.992 . . . . 0.0 112.044 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.46 163.04 39.55 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.679 2.919 . . . . 0.0 112.799 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.263 1.825 . . . . 0.0 111.928 173.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.9 46.96 1.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -118.25 94.05 4.35 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.127 1.771 . . . . 0.0 111.902 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -162.15 -22.96 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 169.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 54.89 50.96 14.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.28 1.432 . . . . 0.0 112.8 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.53 -156.72 50.04 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.443 1.02 . . . . 0.0 113.525 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 C-N-CA 124.272 0.939 . . . . 0.0 111.788 178.548 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.82 130.93 55.65 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -143.79 131.1 20.85 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.56 -44.51 18.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.411 0.684 . . . . 0.0 112.632 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -154.22 -46.52 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.561 1.945 . . . . 0.0 112.483 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.0 1.85 66.99 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.091 1.329 . . . . 0.0 115.117 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.496 1.522 . . . . 0.0 113.307 174.717 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -128.41 139.68 52.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.997 1.319 . . . . 0.0 110.915 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -84.48 -39.35 19.01 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 33.1 p -144.32 45.25 1.42 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.624 1.17 . . . . 0.0 113.744 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 24.2 p -65.41 -25.14 67.42 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -74.67 149.52 86.03 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.485 1.514 . . . . 0.0 112.818 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.35 163.63 38.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.347 2.698 . . . . 0.0 112.976 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.371 0 C-N-CA 126.232 1.813 . . . . 0.0 111.542 179.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.27 147.69 27.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.99 46.84 25.96 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.515 1.526 . . . . 0.0 114.577 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -99.28 -42.17 7.13 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -131.72 40.42 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.652 0.644 . . . . 0.0 112.774 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.692 0 C-N-CA 125.03 1.3 . . . . 0.0 114.713 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.51 -179.46 5.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? 64.36 175.72 0.19 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.548 1.939 . . . . 0.0 113.222 -174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.59 150.08 47.82 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.888 1.675 . . . . 0.0 111.037 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -81.07 -18.87 45.14 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -170.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.25 -31.94 1.05 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.863 1.221 . . . . 0.0 114.676 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 C-N-CA 125.629 1.585 . . . . 0.0 113.032 176.041 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 119.955 -0.069 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -144.78 132.56 21.17 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.356 1.063 . . . . 0.0 111.082 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -73.1 -46.5 50.97 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 29.1 m -162.09 80.31 0.54 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.083 0.953 . . . . 0.0 111.405 -170.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 p -79.58 -18.4 51.77 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -77.1 -54.5 1.53 Allowed Pre-proline 0 N--CA 1.48 1.028 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.503 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.17 168.16 25.33 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.739 2.293 . . . . 0.0 112.98 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 126.518 1.927 . . . . 0.0 113.674 178.146 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.71 141.17 33.29 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -131.87 156.27 46.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 0.0 113.434 -169.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.9 71.03 5.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.494 1.518 . . . . 0.0 111.288 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.16 -83.52 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.27 20.51 65.3 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 CA-C-N 118.076 0.938 . . . . 0.0 111.976 -174.304 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.61 164.67 37.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -153.23 152.01 30.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.532 1.133 . . . . 0.0 113.522 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 50.93 39.69 23.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.988 2.115 . . . . 0.0 114.185 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.67 -41.84 95.86 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.143 -0.973 . . . . 0.0 113.139 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.81 12.91 46.09 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.486 1.517 . . . . 0.0 114.427 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 CA-C-O 117.991 -1.449 . . . . 0.0 113.396 -169.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.19 0.043 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.724 1.21 . . . . 0.0 110.35 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -82.91 -26.59 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -131.17 42.03 3.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.165 1.386 . . . . 0.0 112.011 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.05 177.61 4.26 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.727 1.211 . . . . 0.0 112.69 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.35 149.87 74.95 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 123.891 0.876 . . . . 0.0 111.356 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -57.6 122.03 11.06 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.682 2.254 . . . . 0.0 110.111 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.796 1.638 . . . . 0.0 112.558 -169.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.9 118.65 16.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -131.83 159.5 38.35 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.512 1.525 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.7 mt 62.44 164.34 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.284 2.633 . . . . 0.0 115.189 -174.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.61 130.0 51.61 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.143 1.777 . . . . 0.0 109.698 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.84 4.83 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 124.877 1.227 . . . . 0.0 115.634 -173.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.745 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 175.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.11 152.15 35.64 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -93.39 -58.3 2.34 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp 56.87 -179.58 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.622 1.969 . . . . 0.0 114.344 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -139.31 -70.61 0.41 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.812 1.245 . . . . 0.0 111.787 170.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.73 36.55 0.03 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 123.964 0.792 . . . . 0.0 114.662 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 C-N-CA 125.106 1.336 . . . . 0.0 112.844 -176.193 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.132 0.049 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.9 124.89 19.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.822 1.249 . . . . 0.0 109.87 172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -89.24 -43.54 10.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 11.2 t -148.06 75.21 1.33 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.386 1.474 . . . . 0.0 109.767 -170.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.33 74.49 1.0 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.221 1.808 . . . . 0.0 111.262 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -53.5 147.62 20.05 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 127.921 2.488 . . . . 0.0 115.539 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.45 160.07 47.41 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.491 2.794 . . . . 0.0 113.525 -172.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 127.087 2.155 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -154.26 165.08 37.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.81 170.57 20.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.709 1.604 . . . . 0.0 110.258 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.36 46.02 0.7 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.905 1.682 . . . . 0.0 112.414 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -145.33 154.86 42.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.63 1.572 . . . . 0.0 112.475 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.4 -103.87 1.44 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.639 1.59 . . . . 0.0 111.227 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.829 0 C-N-CA 124.831 1.205 . . . . 0.0 115.136 176.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -158.93 166.98 30.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 139.6 18.59 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.472 1.109 . . . . 0.0 111.88 169.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.52 34.6 0.95 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.237 1.415 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.28 26.16 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.501 1.92 . . . . 0.0 114.617 -172.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.05 -174.71 45.39 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.433 1.492 . . . . 0.0 112.87 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 C-N-CA 125.318 1.437 . . . . 0.0 112.664 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.913 -0.032 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -137.23 137.11 38.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.819 1.247 . . . . 0.0 111.412 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -74.79 -50.53 16.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 14.3 p -159.4 68.8 0.43 Allowed 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.345 1.069 . . . . 0.0 112.783 -169.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 29.2 p -70.91 -17.98 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -83.29 -57.82 0.42 Allowed Pre-proline 0 N--CA 1.479 1.005 0 CA-C-O 117.144 -1.407 . . . . 0.0 114.59 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.18 112.21 3.19 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.391 2.061 . . . . 0.0 112.043 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.829 2.052 . . . . 0.0 113.804 -179.107 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.74 -164.41 2.02 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 60.24 48.27 8.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.246 1.418 . . . . 0.0 112.393 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 mt -99.85 -115.31 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.807 2.043 . . . . 0.0 108.588 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.93 -59.29 0.28 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.814 0.846 . . . . 0.0 112.505 169.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.44 11.22 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-N 119.027 1.414 . . . . 0.0 112.036 -171.76 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -116.65 122.7 45.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -66.36 155.24 37.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -52.93 123.36 11.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.831 1.652 . . . . 0.0 112.539 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -74.84 -25.05 58.73 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.808 1.243 . . . . 0.0 113.769 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.76 12.33 77.71 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.658 1.123 . . . . 0.0 114.802 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 C-N-CA 126.095 1.807 . . . . 0.0 112.817 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -133.27 138.98 46.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.25 1.42 . . . . 0.0 111.143 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -68.41 -31.9 71.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -137.72 50.25 1.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.367 1.467 . . . . 0.0 111.285 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 11.0 t -65.09 -31.14 72.21 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.442 -0.786 . . . . 0.0 112.104 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -122.59 157.14 60.18 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.818 2.047 . . . . 0.0 112.382 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.0 159.05 51.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.291 2.661 . . . . 0.0 112.242 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.181 1.792 . . . . 0.0 112.216 -179.376 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.71 -169.68 3.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 71.03 -0.13 3.18 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 126.641 1.976 . . . . 0.0 115.921 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.84 -1.19 18.42 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.206 1.403 . . . . 0.0 114.056 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 67.72 144.91 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 129.106 2.962 . . . . 0.0 114.384 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.56 -60.08 1.94 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.108 0.861 . . . . 0.0 112.892 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 124.782 1.182 . . . . 0.0 112.742 177.102 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.17 172.43 18.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 65.19 160.14 0.12 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.609 2.364 . . . . 0.0 114.843 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 tp -155.79 -51.9 0.08 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.845 1.258 . . . . 0.0 112.605 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -87.22 44.68 1.2 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.279 1.432 . . . . 0.0 113.638 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 29.85 65.14 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.157 0.884 . . . . 0.0 114.984 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.333 0 C-N-CA 125.406 1.479 . . . . 0.0 114.484 -178.458 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.24 0.066 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t -142.16 139.91 32.25 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.073 1.349 . . . . 0.0 111.317 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -68.9 -33.79 74.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -133.15 42.17 3.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.177 1.391 . . . . 0.0 112.294 -171.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.13 -37.94 84.71 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.61 0.764 . . . . 0.0 112.313 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -80.41 149.57 68.98 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 125.13 1.372 . . . . 0.0 111.714 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.94 144.15 69.22 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.2 2.6 . . . . 0.0 111.858 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.906 176.28 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.75 163.45 26.77 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -138.66 -89.87 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.693 1.197 . . . . 0.0 111.106 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.21 176.67 8.99 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.008 2.123 . . . . 0.0 110.617 -170.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 64.81 164.44 0.15 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.575 2.35 . . . . 0.0 114.343 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.1 126.03 1.56 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.499 1.047 . . . . 0.0 111.716 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.685 0 C-N-CA 125.141 1.353 . . . . 0.0 113.69 -171.295 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -134.88 148.92 50.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -82.97 166.08 19.14 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.579 1.152 . . . . 0.0 111.893 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.92 142.07 42.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.704 0.802 . . . . 0.0 112.551 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -156.09 135.64 12.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.943 1.297 . . . . 0.0 110.813 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.51 14.55 80.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.415 1.483 . . . . 0.0 112.799 -179.672 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 120.272 0.082 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -125.7 136.42 53.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.931 1.292 . . . . 0.0 110.722 169.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.36 -39.44 92.34 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.7 m -135.56 45.14 2.47 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.834 1.254 . . . . 0.0 112.318 -169.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.4 t -71.38 -39.34 71.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.61 -0.681 . . . . 0.0 112.712 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -53.09 0.92 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.055 1.342 . . . . 0.0 114.352 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.83 160.37 37.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.755 2.303 . . . . 0.0 112.78 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.256 1.432 0 C-N-CA 125.661 1.585 . . . . 0.0 114.161 174.463 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -153.86 147.8 25.54 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -151.33 -84.13 0.09 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.912 0.885 . . . . 0.0 112.492 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.5 tp -153.5 94.82 1.84 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.096 1.759 . . . . 0.0 108.938 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.52 -168.43 3.1 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.919 1.288 . . . . 0.0 111.396 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.22 2.83 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.505 1.526 . . . . 0.0 113.518 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 123.756 0.693 . . . . 0.0 111.874 174.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt -99.98 -36.61 9.32 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.54 49.42 13.57 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.077 1.751 . . . . 0.0 112.038 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.73 120.46 17.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.539 0.736 . . . . 0.0 110.875 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -108.97 148.01 31.37 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.991 1.316 . . . . 0.0 112.085 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.1 -163.81 33.01 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.297 1.427 . . . . 0.0 112.92 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 C-N-CA 125.249 1.404 . . . . 0.0 113.455 175.165 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptm . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -141.86 137.12 31.19 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.586 1.555 . . . . 0.0 110.324 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -83.96 -26.51 29.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -131.52 44.55 2.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.203 1.401 . . . . 0.0 112.079 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.3 t -78.73 -45.62 20.78 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.406 -0.809 . . . . 0.0 112.209 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -78.01 -54.86 1.24 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.38 1.472 . . . . 0.0 114.253 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.75 165.49 30.1 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.621 2.214 . . . . 0.0 112.936 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.454 1.502 . . . . 0.0 113.414 178.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.08 144.47 20.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.43 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.589 1.156 . . . . 0.0 113.41 169.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.32 166.2 16.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.538 1.135 . . . . 0.0 112.588 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 147.55 23.07 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.303 1.441 . . . . 0.0 111.508 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.02 -18.69 74.25 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -173.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.59 0 CA-C-N 118.31 1.055 . . . . 0.0 112.692 177.323 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.44 -179.34 7.86 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 55.68 53.1 9.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.073 1.349 . . . . 0.0 113.079 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.57 -18.5 59.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -112.88 157.25 21.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.568 1.547 . . . . 0.0 112.109 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.56 -18.5 0.07 OUTLIER Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 C-N-CA 125.386 1.469 . . . . 0.0 113.394 175.597 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -139.32 135.59 33.95 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.349 . . . . 0.0 110.506 170.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -69.47 -53.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -162.38 100.41 1.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.429 0.691 . . . . 0.0 111.359 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.55 -13.93 38.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -77.03 -47.86 2.65 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.753 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.62 166.34 27.39 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.76 2.307 . . . . 0.0 112.733 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.232 1.413 . . . . 0.0 111.988 174.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.43 143.1 24.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.41 161.77 21.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.445 1.498 . . . . 0.0 111.801 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tp 53.39 -152.92 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.802 1.641 . . . . 0.0 113.189 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -107.86 154.94 20.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.852 169.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.53 70.78 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.18 0.895 . . . . 0.0 114.681 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.917 1.246 . . . . 0.0 112.827 177.583 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.18 158.44 37.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -148.66 -77.86 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.213 1.005 . . . . 0.0 111.955 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -162.1 172.16 16.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.021 2.129 . . . . 0.0 110.46 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.3 ptt85 -105.01 147.15 28.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.757 1.223 . . . . 0.0 112.745 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.47 -21.15 52.57 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.414 1.007 . . . . 0.0 114.487 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 C-N-CA 125.295 1.426 . . . . 0.0 112.414 172.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.27 83.94 6.47 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 128.328 2.651 . . . . 0.0 109.551 -169.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -52.18 -58.33 6.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -160.48 -2.9 0.06 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 66.3 m -94.01 9.07 39.08 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -170.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -61.69 154.2 67.36 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.719 1.208 . . . . 0.0 111.52 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.44 120.76 7.92 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.748 2.299 . . . . 0.0 110.758 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.599 1.56 . . . . 0.0 112.767 -179.625 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt -128.75 169.85 14.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 58.42 -153.19 0.39 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.739 1.216 . . . . 0.0 111.544 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tt 64.42 -53.48 0.28 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.277 2.631 . . . . 0.0 114.674 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -144.19 150.66 38.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.808 1.643 . . . . 0.0 111.186 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.74 69.62 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 124.629 1.109 . . . . 0.0 112.792 175.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 124.839 1.209 . . . . 0.0 110.634 -176.521 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.08 53.88 1.96 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 140.69 57.37 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.789 0.836 . . . . 0.0 112.092 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -145.63 131.31 18.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.761 1.624 . . . . 0.0 111.402 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 53.18 47.37 24.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.353 1.461 . . . . 0.0 112.406 -174.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.26 -9.43 72.47 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.809 1.195 . . . . 0.0 116.063 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 C-N-CA 125.422 1.487 . . . . 0.0 113.583 -178.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 5.1 ppp? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 133.89 40.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.732 1.213 . . . . 0.0 110.954 171.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -77.98 -23.44 48.41 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.6 m -131.45 30.22 4.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.783 1.233 . . . . 0.0 113.667 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 31.5 p -73.02 168.56 18.79 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.524 1.13 . . . . 0.0 112.851 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 mtm105 -67.63 -42.11 34.06 Favored Pre-proline 0 N--CA 1.481 1.119 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.3 76.43 4.53 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.871 2.381 . . . . 0.0 112.67 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.255 1.37 0 C-N-CA 128.213 2.605 . . . . 0.0 114.974 176.197 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp -147.89 165.22 31.3 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -123.8 -54.85 1.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.33 177.89 8.49 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.511 1.924 . . . . 0.0 110.536 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -103.64 175.05 5.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.306 1.842 . . . . 0.0 109.907 169.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.92 -85.2 0.21 Allowed Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.724 1.154 . . . . 0.0 113.449 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.711 1.624 . . . . 0.0 113.394 176.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.32 136.21 52.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.62 138.77 41.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.48 1.512 . . . . 0.0 110.705 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt 46.62 61.15 2.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.687 1.995 . . . . 0.0 113.79 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -70.05 -25.57 63.62 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.85 139.19 26.9 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.953 0.787 . . . . 0.0 112.709 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.164 1.364 . . . . 0.0 113.71 178.53 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -131.68 127.85 37.8 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.492 1.517 . . . . 0.0 109.878 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.92 -44.46 76.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -139.93 64.01 1.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.995 1.318 . . . . 0.0 111.522 -169.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.42 13.79 0.89 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.099 1.36 . . . . 0.0 114.594 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -122.49 154.77 62.96 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 127.793 2.437 . . . . 0.0 112.149 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.73 162.75 39.92 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.206 2.604 . . . . 0.0 112.705 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.139 1.775 . . . . 0.0 111.317 177.137 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.88 166.53 31.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.08 153.49 50.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 112.261 171.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.9 tp 59.99 -53.22 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.095 2.958 . . . . 0.0 116.575 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 62.88 158.99 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.893 2.477 . . . . 0.0 113.281 -169.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.04 -149.43 44.35 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.337 -0.852 . . . . 0.0 111.864 -173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 C-N-CA 124.468 1.032 . . . . 0.0 113.868 178.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt -120.05 132.45 55.46 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -130.59 128.3 40.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.553 0.741 . . . . 0.0 112.177 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.12 54.67 0.82 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.205 1.802 . . . . 0.0 110.619 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 62.84 -56.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 128.608 2.763 . . . . 0.0 114.933 -169.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.03 14.42 73.49 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.761 1.172 . . . . 0.0 115.261 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 125.865 1.698 . . . . 0.0 112.979 -178.378 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptm . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 120.942 0.401 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t -133.93 139.35 46.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.174 1.39 . . . . 0.0 111.299 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -86.9 -37.09 17.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.8 m -134.12 44.07 2.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 113.109 -169.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.8 92.09 2.0 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.577 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -122.47 86.4 48.55 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.813 1.645 . . . . 0.0 111.059 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.87 179.03 5.16 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 123.508 2.805 . . . . 0.0 112.423 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.188 2.195 . . . . 0.0 115.171 178.403 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -121.68 150.86 41.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -140.48 165.31 27.8 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.012 1.325 . . . . 0.0 112.447 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.45 51.65 0.73 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.406 1.883 . . . . 0.0 111.304 170.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -108.7 157.34 18.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.816 2.046 . . . . 0.0 110.934 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.74 176.97 38.33 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.523 1.059 . . . . 0.0 112.076 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -169.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt -122.75 113.09 18.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -146.47 128.4 15.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.028 0.931 . . . . 0.0 111.256 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.0 tp -149.03 -74.82 0.17 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.921 1.288 . . . . 0.0 111.765 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -163.61 -43.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.2 1.4 . . . . 0.0 113.047 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.1 -131.7 4.21 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.628 1.585 . . . . 0.0 113.274 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.157 1.361 . . . . 0.0 112.75 177.622 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -142.61 137.24 29.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.623 1.169 . . . . 0.0 111.112 172.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -81.36 -21.98 38.73 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -136.26 30.4 2.97 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -63.26 -35.96 82.08 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.234 -0.916 . . . . 0.0 112.47 177.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.76 146.5 97.56 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.338 1.455 . . . . 0.0 112.917 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.9 164.41 35.66 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.528 2.819 . . . . 0.0 113.415 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.709 2.003 . . . . 0.0 113.566 -177.586 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 44' ' ' ILE . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.402 HD13 ' C ' ' C' ' 109' ' ' LEU . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 44' ' ' ILE . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.722 0.296 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.444 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.346 0.593 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' C' ' 90' ' ' LYS . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 90' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' C' ' 87' ' ' LEU . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.935 0.398 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 44' ' ' ILE . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.848 0.356 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.903 0.382 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.907 0.384 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.418 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.66 0.267 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.678 0.275 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.409 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' C' ' 85' ' ' PHE . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 122.402 1.096 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' B' ' 70' ' ' VAL . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' C' ' 119' ' ' ASN . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 119' ' ' ASN . . . . . 0.427 ' HB2' ' HA ' ' C' ' 116' ' ' GLU . 15.6 m120 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' GLU . . . . . 0.543 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.41 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' LYS . . . . . 0.543 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.435 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.442 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.949 0.404 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.96 159.55 40.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -138.89 -101.51 0.17 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.914 0.886 . . . . 0.0 111.235 169.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 pp -152.13 165.93 33.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 63.38 156.01 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.665 2.386 . . . . 0.0 114.595 -170.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.37 35.54 2.21 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.757 1.646 . . . . 0.0 113.592 -171.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 C-N-CA 123.834 0.731 . . . . 0.0 112.474 -174.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.25 -174.1 3.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 58.28 -139.95 0.78 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.839 1.656 . . . . 0.0 111.618 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 tp -154.77 157.27 37.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.976 2.11 . . . . 0.0 109.691 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -24.34 66.7 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.66 149.92 24.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.741 1.162 . . . . 0.0 114.193 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.207 0 C-N-CA 125.445 1.498 . . . . 0.0 112.736 178.676 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -125.59 135.22 51.98 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.115 1.366 . . . . 0.0 110.32 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.74 -51.65 39.06 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -160.84 109.37 1.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.2 1.0 . . . . 0.0 110.802 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.02 -3.21 58.93 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -76.74 155.17 83.33 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 125.248 1.419 . . . . 0.0 111.525 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -64.77 121.0 8.39 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.538 2.159 . . . . 0.0 111.309 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.873 2.069 . . . . 0.0 111.49 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 44' ' ' ILE . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.18 54.48 4.04 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -75.67 -30.84 59.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.872 1.269 . . . . 0.0 113.193 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.87 156.59 42.33 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.854 1.662 . . . . 0.0 111.784 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 52.9 -144.0 0.67 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.015 1.726 . . . . 0.0 111.955 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.1 155.48 31.76 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.483 1.516 . . . . 0.0 113.156 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 C-N-CA 124.186 0.898 . . . . 0.0 111.653 -176.469 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt -128.89 156.44 43.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.98 -56.74 2.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.211 1.004 . . . . 0.0 113.214 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.4 mt -145.89 146.75 31.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.322 1.449 . . . . 0.0 111.369 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -109.11 -8.83 15.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.351 1.46 . . . . 0.0 113.387 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.35 -154.78 19.93 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.488 1.518 . . . . 0.0 112.521 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 C-N-CA 125.287 1.423 . . . . 0.0 114.001 176.736 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 119.912 -0.09 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -136.43 142.18 43.64 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.552 1.141 . . . . 0.0 112.513 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.402 HD13 ' C ' ' C' ' 109' ' ' LEU . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.63 -38.2 86.79 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -132.85 51.74 2.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.638 1.575 . . . . 0.0 110.502 -174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.11 -16.63 64.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.562 1.145 . . . . 0.0 113.974 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -116.08 149.99 44.36 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.996 2.118 . . . . 0.0 110.585 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.59 145.76 87.78 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.249 2.633 . . . . 0.0 113.035 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.245 1.818 . . . . 0.0 111.55 -178.505 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.19 -179.15 3.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 59.04 75.47 0.4 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.431 1.892 . . . . 0.0 113.218 173.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.71 -177.49 3.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.985 1.714 . . . . 0.0 112.113 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -56.55 -32.76 65.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.857 1.663 . . . . 0.0 115.262 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.67 -139.57 41.41 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-N 118.641 0.655 . . . . 0.0 112.152 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.79 0 C-N-CA 123.997 0.808 . . . . 0.0 114.053 173.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -121.07 136.72 54.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -125.73 114.63 18.89 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.013 0.925 . . . . 0.0 111.593 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -160.69 169.45 22.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.246 2.618 . . . . 0.0 109.355 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -141.58 145.86 35.57 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.092 0.957 . . . . 0.0 111.427 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.78 -21.64 1.47 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.417 1.008 . . . . 0.0 115.143 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 CA-C-O 118.237 -1.313 . . . . 0.0 113.276 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -136.53 132.74 35.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.148 1.379 . . . . 0.0 110.021 169.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -71.08 -37.87 72.43 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 56.2 p -145.41 71.85 1.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.909 1.284 . . . . 0.0 111.138 -173.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.8 t -78.02 -43.25 29.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.237 0.615 . . . . 0.0 112.067 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -87.19 -55.62 0.35 Allowed Pre-proline 0 N--CA 1.48 1.033 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.697 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.78 166.16 29.91 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.559 2.173 . . . . 0.0 112.576 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.255 1.383 0 C-N-CA 126.007 1.723 . . . . 0.0 113.609 -175.897 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.14 151.69 31.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -148.86 30.39 0.8 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 mt 55.34 -149.34 0.45 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.329 1.452 . . . . 0.0 111.955 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 52.4 48.15 23.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.205 1.802 . . . . 0.0 113.948 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.8 -32.42 84.11 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 123.982 0.801 . . . . 0.0 114.607 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.622 0 C-N-CA 124.556 1.074 . . . . 0.0 112.324 171.862 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.58 139.33 52.82 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -121.55 118.74 30.03 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.708 1.203 . . . . 0.0 111.444 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.71 152.27 23.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.657 1.583 . . . . 0.0 110.928 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -137.17 156.09 48.76 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.15 1.78 . . . . 0.0 111.178 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.65 -172.28 53.97 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.243 0.925 . . . . 0.0 113.826 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.307 1.432 . . . . 0.0 113.825 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t -119.98 130.38 54.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.926 1.29 . . . . 0.0 109.788 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -74.06 -23.04 59.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 7.4 t -131.29 50.71 2.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.271 1.829 . . . . 0.0 109.859 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.86 -20.68 60.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.389 1.076 . . . . 0.0 113.303 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -70.73 158.85 87.03 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 125.304 1.442 . . . . 0.0 111.794 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.04 64.97 8.38 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 C-N-CA 124.009 3.139 . . . . 0.0 111.723 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.361 1.864 . . . . 0.0 113.056 178.778 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 44' ' ' ILE . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp -104.49 140.99 37.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -144.01 -176.28 4.93 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.715 2.006 . . . . 0.0 110.573 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.43 34.66 4.78 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -73.03 165.98 23.97 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.461 -0.774 . . . . 0.0 112.554 170.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.24 -22.5 31.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 126.022 1.772 . . . . 0.0 116.078 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.541 0 C-N-CA 124.827 1.203 . . . . 0.0 112.743 176.674 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.27 146.72 42.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -80.21 170.21 16.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.866 1.266 . . . . 0.0 111.499 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.03 161.77 6.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.305 1.042 . . . . 0.0 112.438 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 62.41 21.99 12.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.993 1.717 . . . . 0.0 114.276 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.82 -27.32 24.4 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.716 1.15 . . . . 0.0 114.676 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 C-N-CA 125.784 1.659 . . . . 0.0 112.856 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t -141.91 137.03 31.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.89 1.276 . . . . 0.0 111.246 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.444 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -77.6 -34.66 53.38 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -133.0 53.74 2.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.936 1.295 . . . . 0.0 112.11 -169.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.1 p -77.53 -13.53 59.89 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.28 151.7 81.22 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.18 0.992 . . . . 0.0 112.044 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.46 163.04 39.55 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.679 2.919 . . . . 0.0 112.799 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.263 1.825 . . . . 0.0 111.928 173.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.9 46.96 1.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -118.25 94.05 4.35 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.127 1.771 . . . . 0.0 111.902 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -162.15 -22.96 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 169.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 54.89 50.96 14.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.28 1.432 . . . . 0.0 112.8 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.53 -156.72 50.04 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.443 1.02 . . . . 0.0 113.525 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 C-N-CA 124.272 0.939 . . . . 0.0 111.788 178.548 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.82 130.93 55.65 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -143.79 131.1 20.85 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.56 -44.51 18.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.411 0.684 . . . . 0.0 112.632 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -154.22 -46.52 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.561 1.945 . . . . 0.0 112.483 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.0 1.85 66.99 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.091 1.329 . . . . 0.0 115.117 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.496 1.522 . . . . 0.0 113.307 174.717 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -128.41 139.68 52.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.997 1.319 . . . . 0.0 110.915 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' C' ' 90' ' ' LYS . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 90' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' C' ' 87' ' ' LEU . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -84.48 -39.35 19.01 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 33.1 p -144.32 45.25 1.42 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.624 1.17 . . . . 0.0 113.744 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 24.2 p -65.41 -25.14 67.42 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -74.67 149.52 86.03 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.485 1.514 . . . . 0.0 112.818 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.35 163.63 38.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.347 2.698 . . . . 0.0 112.976 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.371 0 C-N-CA 126.232 1.813 . . . . 0.0 111.542 179.35 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.27 147.69 27.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.99 46.84 25.96 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.515 1.526 . . . . 0.0 114.577 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -99.28 -42.17 7.13 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -131.72 40.42 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.652 0.644 . . . . 0.0 112.774 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.692 0 C-N-CA 125.03 1.3 . . . . 0.0 114.713 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.51 -179.46 5.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? 64.36 175.72 0.19 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.548 1.939 . . . . 0.0 113.222 -174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.59 150.08 47.82 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.888 1.675 . . . . 0.0 111.037 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -81.07 -18.87 45.14 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -170.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.25 -31.94 1.05 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.863 1.221 . . . . 0.0 114.676 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 C-N-CA 125.629 1.585 . . . . 0.0 113.032 176.041 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 119.955 -0.069 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -144.78 132.56 21.17 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.356 1.063 . . . . 0.0 111.082 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -73.1 -46.5 50.97 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 29.1 m -162.09 80.31 0.54 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.083 0.953 . . . . 0.0 111.405 -170.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 p -79.58 -18.4 51.77 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -77.1 -54.5 1.53 Allowed Pre-proline 0 N--CA 1.48 1.028 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.503 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.17 168.16 25.33 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.739 2.293 . . . . 0.0 112.98 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 126.518 1.927 . . . . 0.0 113.674 178.146 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 44' ' ' ILE . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.71 141.17 33.29 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -131.87 156.27 46.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 0.0 113.434 -169.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.9 71.03 5.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.494 1.518 . . . . 0.0 111.288 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.16 -83.52 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.27 20.51 65.3 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 CA-C-N 118.076 0.938 . . . . 0.0 111.976 -174.304 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.61 164.67 37.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -153.23 152.01 30.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.532 1.133 . . . . 0.0 113.522 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 50.93 39.69 23.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.988 2.115 . . . . 0.0 114.185 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.67 -41.84 95.86 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.143 -0.973 . . . . 0.0 113.139 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.81 12.91 46.09 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.486 1.517 . . . . 0.0 114.427 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 CA-C-O 117.991 -1.449 . . . . 0.0 113.396 -169.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.19 0.043 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.724 1.21 . . . . 0.0 110.35 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -82.91 -26.59 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -131.17 42.03 3.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.165 1.386 . . . . 0.0 112.011 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.05 177.61 4.26 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.727 1.211 . . . . 0.0 112.69 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.35 149.87 74.95 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 123.891 0.876 . . . . 0.0 111.356 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -57.6 122.03 11.06 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.682 2.254 . . . . 0.0 110.111 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.796 1.638 . . . . 0.0 112.558 -169.566 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.9 118.65 16.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -131.83 159.5 38.35 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.512 1.525 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.7 mt 62.44 164.34 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.284 2.633 . . . . 0.0 115.189 -174.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.61 130.0 51.61 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.143 1.777 . . . . 0.0 109.698 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.84 4.83 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 124.877 1.227 . . . . 0.0 115.634 -173.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.745 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 175.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.11 152.15 35.64 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -93.39 -58.3 2.34 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp 56.87 -179.58 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.622 1.969 . . . . 0.0 114.344 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -139.31 -70.61 0.41 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.812 1.245 . . . . 0.0 111.787 170.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.73 36.55 0.03 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 123.964 0.792 . . . . 0.0 114.662 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 C-N-CA 125.106 1.336 . . . . 0.0 112.844 -176.193 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.132 0.049 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.9 124.89 19.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.822 1.249 . . . . 0.0 109.87 172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -89.24 -43.54 10.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 11.2 t -148.06 75.21 1.33 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.386 1.474 . . . . 0.0 109.767 -170.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.33 74.49 1.0 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.221 1.808 . . . . 0.0 111.262 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -53.5 147.62 20.05 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 127.921 2.488 . . . . 0.0 115.539 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.45 160.07 47.41 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.491 2.794 . . . . 0.0 113.525 -172.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 127.087 2.155 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -154.26 165.08 37.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.81 170.57 20.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.709 1.604 . . . . 0.0 110.258 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.36 46.02 0.7 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.905 1.682 . . . . 0.0 112.414 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -145.33 154.86 42.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.63 1.572 . . . . 0.0 112.475 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.4 -103.87 1.44 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.639 1.59 . . . . 0.0 111.227 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.829 0 C-N-CA 124.831 1.205 . . . . 0.0 115.136 176.527 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -158.93 166.98 30.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 139.6 18.59 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.472 1.109 . . . . 0.0 111.88 169.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.52 34.6 0.95 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.237 1.415 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.28 26.16 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.501 1.92 . . . . 0.0 114.617 -172.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.05 -174.71 45.39 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.433 1.492 . . . . 0.0 112.87 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 C-N-CA 125.318 1.437 . . . . 0.0 112.664 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.913 -0.032 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -137.23 137.11 38.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.819 1.247 . . . . 0.0 111.412 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -74.79 -50.53 16.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 14.3 p -159.4 68.8 0.43 Allowed 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.345 1.069 . . . . 0.0 112.783 -169.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 29.2 p -70.91 -17.98 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -83.29 -57.82 0.42 Allowed Pre-proline 0 N--CA 1.479 1.005 0 CA-C-O 117.144 -1.407 . . . . 0.0 114.59 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.18 112.21 3.19 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.391 2.061 . . . . 0.0 112.043 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.829 2.052 . . . . 0.0 113.804 -179.107 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.74 -164.41 2.02 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 60.24 48.27 8.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.246 1.418 . . . . 0.0 112.393 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 mt -99.85 -115.31 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.807 2.043 . . . . 0.0 108.588 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.93 -59.29 0.28 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.814 0.846 . . . . 0.0 112.505 169.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.44 11.22 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-N 119.027 1.414 . . . . 0.0 112.036 -171.76 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -116.65 122.7 45.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -66.36 155.24 37.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -52.93 123.36 11.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.831 1.652 . . . . 0.0 112.539 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -74.84 -25.05 58.73 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.808 1.243 . . . . 0.0 113.769 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.76 12.33 77.71 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.658 1.123 . . . . 0.0 114.802 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 C-N-CA 126.095 1.807 . . . . 0.0 112.817 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -133.27 138.98 46.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.25 1.42 . . . . 0.0 111.143 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -68.41 -31.9 71.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -137.72 50.25 1.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.367 1.467 . . . . 0.0 111.285 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 11.0 t -65.09 -31.14 72.21 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.442 -0.786 . . . . 0.0 112.104 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -122.59 157.14 60.18 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.818 2.047 . . . . 0.0 112.382 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.0 159.05 51.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.291 2.661 . . . . 0.0 112.242 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.181 1.792 . . . . 0.0 112.216 -179.376 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.71 -169.68 3.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 71.03 -0.13 3.18 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 126.641 1.976 . . . . 0.0 115.921 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.84 -1.19 18.42 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.206 1.403 . . . . 0.0 114.056 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 67.72 144.91 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 129.106 2.962 . . . . 0.0 114.384 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.56 -60.08 1.94 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.108 0.861 . . . . 0.0 112.892 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 124.782 1.182 . . . . 0.0 112.742 177.102 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.17 172.43 18.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 65.19 160.14 0.12 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.609 2.364 . . . . 0.0 114.843 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 tp -155.79 -51.9 0.08 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.845 1.258 . . . . 0.0 112.605 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -87.22 44.68 1.2 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.279 1.432 . . . . 0.0 113.638 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 29.85 65.14 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.157 0.884 . . . . 0.0 114.984 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.333 0 C-N-CA 125.406 1.479 . . . . 0.0 114.484 -178.458 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.24 0.066 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t -142.16 139.91 32.25 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.073 1.349 . . . . 0.0 111.317 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.418 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -68.9 -33.79 74.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -133.15 42.17 3.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.177 1.391 . . . . 0.0 112.294 -171.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.13 -37.94 84.71 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.61 0.764 . . . . 0.0 112.313 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -80.41 149.57 68.98 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 125.13 1.372 . . . . 0.0 111.714 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.94 144.15 69.22 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.2 2.6 . . . . 0.0 111.858 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.906 176.28 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.75 163.45 26.77 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -138.66 -89.87 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.693 1.197 . . . . 0.0 111.106 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.21 176.67 8.99 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.008 2.123 . . . . 0.0 110.617 -170.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 64.81 164.44 0.15 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.575 2.35 . . . . 0.0 114.343 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.1 126.03 1.56 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.499 1.047 . . . . 0.0 111.716 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.685 0 C-N-CA 125.141 1.353 . . . . 0.0 113.69 -171.295 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -134.88 148.92 50.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -82.97 166.08 19.14 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.579 1.152 . . . . 0.0 111.893 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.92 142.07 42.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.704 0.802 . . . . 0.0 112.551 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -156.09 135.64 12.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.943 1.297 . . . . 0.0 110.813 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.51 14.55 80.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.415 1.483 . . . . 0.0 112.799 -179.672 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 120.272 0.082 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -125.7 136.42 53.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.931 1.292 . . . . 0.0 110.722 169.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.36 -39.44 92.34 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.7 m -135.56 45.14 2.47 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.834 1.254 . . . . 0.0 112.318 -169.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.4 t -71.38 -39.34 71.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.61 -0.681 . . . . 0.0 112.712 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -53.09 0.92 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.055 1.342 . . . . 0.0 114.352 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.83 160.37 37.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.755 2.303 . . . . 0.0 112.78 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.256 1.432 0 C-N-CA 125.661 1.585 . . . . 0.0 114.161 174.463 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -153.86 147.8 25.54 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -151.33 -84.13 0.09 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.912 0.885 . . . . 0.0 112.492 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.5 tp -153.5 94.82 1.84 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.096 1.759 . . . . 0.0 108.938 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.52 -168.43 3.1 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.919 1.288 . . . . 0.0 111.396 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.22 2.83 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.505 1.526 . . . . 0.0 113.518 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 123.756 0.693 . . . . 0.0 111.874 174.877 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt -99.98 -36.61 9.32 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.54 49.42 13.57 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.077 1.751 . . . . 0.0 112.038 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.73 120.46 17.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.539 0.736 . . . . 0.0 110.875 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -108.97 148.01 31.37 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.991 1.316 . . . . 0.0 112.085 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.1 -163.81 33.01 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.297 1.427 . . . . 0.0 112.92 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 C-N-CA 125.249 1.404 . . . . 0.0 113.455 175.165 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptm . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -141.86 137.12 31.19 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.586 1.555 . . . . 0.0 110.324 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -83.96 -26.51 29.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -131.52 44.55 2.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.203 1.401 . . . . 0.0 112.079 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.3 t -78.73 -45.62 20.78 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.406 -0.809 . . . . 0.0 112.209 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -78.01 -54.86 1.24 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.38 1.472 . . . . 0.0 114.253 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.75 165.49 30.1 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.621 2.214 . . . . 0.0 112.936 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.454 1.502 . . . . 0.0 113.414 178.785 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.08 144.47 20.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.43 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.589 1.156 . . . . 0.0 113.41 169.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.32 166.2 16.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.538 1.135 . . . . 0.0 112.588 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 147.55 23.07 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.303 1.441 . . . . 0.0 111.508 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.02 -18.69 74.25 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -173.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.59 0 CA-C-N 118.31 1.055 . . . . 0.0 112.692 177.323 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.44 -179.34 7.86 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 55.68 53.1 9.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.073 1.349 . . . . 0.0 113.079 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.57 -18.5 59.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -112.88 157.25 21.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.568 1.547 . . . . 0.0 112.109 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.56 -18.5 0.07 OUTLIER Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 C-N-CA 125.386 1.469 . . . . 0.0 113.394 175.597 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -139.32 135.59 33.95 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.349 . . . . 0.0 110.506 170.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.409 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -69.47 -53.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -162.38 100.41 1.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.429 0.691 . . . . 0.0 111.359 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.55 -13.93 38.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -77.03 -47.86 2.65 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.753 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.62 166.34 27.39 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.76 2.307 . . . . 0.0 112.733 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.232 1.413 . . . . 0.0 111.988 174.909 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.43 143.1 24.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.41 161.77 21.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.445 1.498 . . . . 0.0 111.801 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tp 53.39 -152.92 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.802 1.641 . . . . 0.0 113.189 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -107.86 154.94 20.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.852 169.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.53 70.78 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.18 0.895 . . . . 0.0 114.681 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.917 1.246 . . . . 0.0 112.827 177.583 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' C' ' 85' ' ' PHE . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.18 158.44 37.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -148.66 -77.86 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.213 1.005 . . . . 0.0 111.955 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -162.1 172.16 16.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.021 2.129 . . . . 0.0 110.46 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.3 ptt85 -105.01 147.15 28.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.757 1.223 . . . . 0.0 112.745 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.47 -21.15 52.57 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.414 1.007 . . . . 0.0 114.487 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 C-N-CA 125.295 1.426 . . . . 0.0 112.414 172.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.27 83.94 6.47 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 128.328 2.651 . . . . 0.0 109.551 -169.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' B' ' 70' ' ' VAL . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' C' ' 119' ' ' ASN . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ASN . . . . . 0.427 ' HB2' ' HA ' ' C' ' 116' ' ' GLU . 15.6 m120 -52.18 -58.33 6.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -160.48 -2.9 0.06 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 66.3 m -94.01 9.07 39.08 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -170.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -61.69 154.2 67.36 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.719 1.208 . . . . 0.0 111.52 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.44 120.76 7.92 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.748 2.299 . . . . 0.0 110.758 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.599 1.56 . . . . 0.0 112.767 -179.625 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt -128.75 169.85 14.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 58.42 -153.19 0.39 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.739 1.216 . . . . 0.0 111.544 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tt 64.42 -53.48 0.28 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.277 2.631 . . . . 0.0 114.674 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -144.19 150.66 38.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.808 1.643 . . . . 0.0 111.186 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.74 69.62 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 124.629 1.109 . . . . 0.0 112.792 175.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 124.839 1.209 . . . . 0.0 110.634 -176.521 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.08 53.88 1.96 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 140.69 57.37 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.789 0.836 . . . . 0.0 112.092 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -145.63 131.31 18.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.761 1.624 . . . . 0.0 111.402 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 53.18 47.37 24.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.353 1.461 . . . . 0.0 112.406 -174.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.26 -9.43 72.47 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.809 1.195 . . . . 0.0 116.063 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 C-N-CA 125.422 1.487 . . . . 0.0 113.583 -178.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 5.1 ppp? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 133.89 40.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.732 1.213 . . . . 0.0 110.954 171.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' GLU . . . . . 0.543 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.41 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' LYS . . . . . 0.543 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -77.98 -23.44 48.41 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.6 m -131.45 30.22 4.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.783 1.233 . . . . 0.0 113.667 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 31.5 p -73.02 168.56 18.79 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.524 1.13 . . . . 0.0 112.851 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 mtm105 -67.63 -42.11 34.06 Favored Pre-proline 0 N--CA 1.481 1.119 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.3 76.43 4.53 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.871 2.381 . . . . 0.0 112.67 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.255 1.37 0 C-N-CA 128.213 2.605 . . . . 0.0 114.974 176.197 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp -147.89 165.22 31.3 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -123.8 -54.85 1.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.33 177.89 8.49 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.511 1.924 . . . . 0.0 110.536 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -103.64 175.05 5.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.306 1.842 . . . . 0.0 109.907 169.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.92 -85.2 0.21 Allowed Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.724 1.154 . . . . 0.0 113.449 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.711 1.624 . . . . 0.0 113.394 176.865 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.32 136.21 52.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.62 138.77 41.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.48 1.512 . . . . 0.0 110.705 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt 46.62 61.15 2.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.687 1.995 . . . . 0.0 113.79 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -70.05 -25.57 63.62 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.85 139.19 26.9 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.953 0.787 . . . . 0.0 112.709 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.164 1.364 . . . . 0.0 113.71 178.53 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -131.68 127.85 37.8 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.492 1.517 . . . . 0.0 109.878 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.435 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.92 -44.46 76.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -139.93 64.01 1.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.995 1.318 . . . . 0.0 111.522 -169.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.42 13.79 0.89 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.099 1.36 . . . . 0.0 114.594 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -122.49 154.77 62.96 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 127.793 2.437 . . . . 0.0 112.149 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.73 162.75 39.92 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.206 2.604 . . . . 0.0 112.705 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.139 1.775 . . . . 0.0 111.317 177.137 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.88 166.53 31.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.08 153.49 50.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 112.261 171.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.9 tp 59.99 -53.22 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.095 2.958 . . . . 0.0 116.575 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 62.88 158.99 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.893 2.477 . . . . 0.0 113.281 -169.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.04 -149.43 44.35 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.337 -0.852 . . . . 0.0 111.864 -173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 C-N-CA 124.468 1.032 . . . . 0.0 113.868 178.928 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt -120.05 132.45 55.46 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -130.59 128.3 40.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.553 0.741 . . . . 0.0 112.177 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.12 54.67 0.82 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.205 1.802 . . . . 0.0 110.619 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 62.84 -56.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 128.608 2.763 . . . . 0.0 114.933 -169.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.03 14.42 73.49 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.761 1.172 . . . . 0.0 115.261 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 125.865 1.698 . . . . 0.0 112.979 -178.378 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptm . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 120.942 0.401 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t -133.93 139.35 46.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.174 1.39 . . . . 0.0 111.299 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.442 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -86.9 -37.09 17.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.8 m -134.12 44.07 2.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 113.109 -169.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.8 92.09 2.0 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.577 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -122.47 86.4 48.55 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.813 1.645 . . . . 0.0 111.059 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.87 179.03 5.16 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 123.508 2.805 . . . . 0.0 112.423 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.188 2.195 . . . . 0.0 115.171 178.403 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -121.68 150.86 41.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -140.48 165.31 27.8 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.012 1.325 . . . . 0.0 112.447 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.45 51.65 0.73 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.406 1.883 . . . . 0.0 111.304 170.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -108.7 157.34 18.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.816 2.046 . . . . 0.0 110.934 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.74 176.97 38.33 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.523 1.059 . . . . 0.0 112.076 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -169.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt -122.75 113.09 18.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -146.47 128.4 15.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.028 0.931 . . . . 0.0 111.256 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.0 tp -149.03 -74.82 0.17 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.921 1.288 . . . . 0.0 111.765 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -163.61 -43.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.2 1.4 . . . . 0.0 113.047 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.1 -131.7 4.21 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.628 1.585 . . . . 0.0 113.274 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.157 1.361 . . . . 0.0 112.75 177.622 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -142.61 137.24 29.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.623 1.169 . . . . 0.0 111.112 172.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -81.36 -21.98 38.73 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -136.26 30.4 2.97 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -63.26 -35.96 82.08 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.234 -0.916 . . . . 0.0 112.47 177.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.76 146.5 97.56 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.338 1.455 . . . . 0.0 112.917 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.9 164.41 35.66 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.528 2.819 . . . . 0.0 113.415 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.709 2.003 . . . . 0.0 113.566 -177.586 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 44' ' ' ILE . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.402 HD13 ' C ' ' C' ' 109' ' ' LEU . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 44' ' ' ILE . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.722 0.296 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.444 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 121.346 0.593 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' C' ' 90' ' ' LYS . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' C' ' 87' ' ' LEU . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.482 1.175 0 CA-C-O 120.935 0.398 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 44' ' ' ILE . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.848 0.356 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 . . . . . 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.903 0.382 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.907 0.384 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.418 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.66 0.267 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.678 0.275 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.409 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 . . . . . 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' C' ' 85' ' ' PHE . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 122.402 1.096 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' B' ' 70' ' ' VAL . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' C' ' 119' ' ' ASN . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . 0.427 ' HB2' ' HA ' ' C' ' 116' ' ' GLU . 52.6 m-80 . . . . . 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . 0.543 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.41 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . 0.543 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.435 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.719 0.295 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.442 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.949 0.404 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.06 141.34 47.57 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.649 1.18 . . . . 0.0 110.629 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -129.25 158.7 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.886 1.274 . . . . 0.0 110.721 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -110.55 144.57 39.2 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.07 1.348 . . . . 0.0 111.083 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.1 t -130.42 122.18 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.423 1.089 . . . . 0.0 109.044 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -99.41 134.25 42.55 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.408 1.083 . . . . 0.0 111.9 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.2 p -87.02 168.91 12.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.143 1.377 . . . . 0.0 112.229 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.59 -23.98 66.27 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.404 -0.81 . . . . 0.0 112.889 169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.02 -1.65 40.68 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.338 1.455 . . . . 0.0 113.724 173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.61 84.44 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.667 1.127 . . . . 0.0 115.077 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -77.47 142.96 38.87 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.909 1.284 . . . . 0.0 109.886 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 m -107.12 127.1 53.2 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.643 0.777 . . . . 0.0 110.633 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.46 138.98 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.608 1.963 . . . . 0.0 107.799 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -106.92 131.7 53.7 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.345 0.658 . . . . 0.0 109.615 172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -125.67 131.46 52.61 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.872 1.269 . . . . 0.0 111.093 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -87.01 122.41 30.82 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.544 0.738 . . . . 0.0 109.683 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.9 m -148.23 160.82 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.547 1.539 . . . . 0.0 111.033 -170.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.03 154.8 43.3 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.691 1.197 . . . . 0.0 109.599 169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -56.95 -25.47 62.75 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 122.389 2.059 . . . . 0.0 114.135 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -80.52 -6.12 57.71 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.123 1.769 . . . . 0.0 114.931 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.25 137.44 57.93 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.167 1.349 . . . . 0.0 111.547 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.87 157.38 37.57 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.466 0.706 . . . . 0.0 111.402 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.65 -31.97 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.093 -1.004 . . . . 0.0 110.459 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.05 -41.26 87.46 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.322 -0.861 . . . . 0.0 112.533 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -63.75 -38.77 92.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.207 -0.933 . . . . 0.0 111.613 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -65.22 -41.81 92.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 121.187 -0.945 . . . . 0.0 111.045 175.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.32 -40.95 92.39 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.179 0.9 . . . . 0.0 112.197 172.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.4 86.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.739 0.816 . . . . 0.0 112.677 176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -63.84 -39.06 93.33 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.228 -0.92 . . . . 0.0 112.103 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -67.91 -40.81 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.569 0.748 . . . . 0.0 111.057 172.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.57 -41.19 94.11 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.05 0.841 . . . . 0.0 111.393 175.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.27 -34.71 79.0 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -87.26 -41.4 13.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -110.36 -12.63 14.4 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.93 81.1 Favored Glycine 0 CA--C 1.541 1.672 0 C-N-CA 124.398 0.999 . . . . 0.0 115.401 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.5 mt -76.85 122.71 86.94 Favored Pre-proline 0 N--CA 1.476 0.854 0 CA-C-N 118.847 1.323 . . . . 0.0 109.689 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -61.77 137.3 67.38 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.677 2.251 . . . . 0.0 112.253 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.71 -33.52 70.32 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.673 2.916 . . . . 0.0 114.686 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -64.98 -20.33 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.286 1.034 . . . . 0.0 113.715 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -96.91 -8.03 31.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.186 1.394 . . . . 0.0 113.221 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -95.56 126.91 41.17 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.282 1.033 . . . . 0.0 112.683 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -116.96 122.32 43.92 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.27 1.428 . . . . 0.0 108.252 169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -105.25 128.77 53.6 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.681 0.792 . . . . 0.0 109.555 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -118.25 137.13 53.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 125.52 1.528 . . . . 0.0 108.439 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -143.0 136.36 28.38 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.697 1.199 . . . . 0.0 110.104 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.76 35.58 4.81 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.723 1.209 . . . . 0.0 113.9 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.55 13.44 83.51 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.48 1.352 . . . . 0.0 116.48 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -120.56 131.71 54.81 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.708 1.603 . . . . 0.0 110.047 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -78.61 133.32 37.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.976 0.511 . . . . 0.0 109.898 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.94 139.85 30.41 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.396 1.079 . . . . 0.0 111.759 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.86 137.98 43.9 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.962 1.305 . . . . 0.0 113.082 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.38 -41.84 60.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 114.638 -171.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.98 -4.43 90.52 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.71 1.147 . . . . 0.0 115.339 -177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.18 163.94 13.07 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.134 1.373 . . . . 0.0 110.945 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.73 162.48 16.77 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.572 1.549 . . . . 0.0 112.408 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.3 -35.48 69.88 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.78 -24.25 62.55 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.42 -29.2 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.95 1.25 . . . . 0.0 111.871 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.6 5.62 51.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.522 1.529 . . . . 0.0 113.477 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 53.88 32.0 14.31 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.926 1.69 . . . . 0.0 113.978 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.1 mt -72.29 134.14 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.031 0.932 . . . . 0.0 109.319 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -127.53 175.47 8.22 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.176 1.791 . . . . 0.0 111.565 -171.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.2 15.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.461 0.704 . . . . 0.0 112.411 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 59.62 20.39 8.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.918 1.687 . . . . 0.0 114.887 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.2 m -69.62 147.24 50.94 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.042 -1.036 . . . . 0.0 111.934 172.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.2 m -109.95 116.42 31.58 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.238 1.015 . . . . 0.0 110.934 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -98.23 151.93 19.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.652 1.581 . . . . 0.0 110.303 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -105.76 117.03 32.97 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.295 1.438 . . . . 0.0 110.024 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -95.87 117.16 30.05 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.566 1.146 . . . . 0.0 110.616 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 63.3 t -104.39 135.87 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 126.409 1.883 . . . . 0.0 109.416 174.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -154.96 159.55 40.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.896 1.678 . . . . 0.0 110.595 171.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -138.89 -101.51 0.17 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.914 0.886 . . . . 0.0 111.235 169.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 pp -152.13 165.93 33.26 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.171 1.388 . . . . 0.0 112.273 178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 63.38 156.01 0.06 Allowed 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 127.665 2.386 . . . . 0.0 114.595 -170.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.37 35.54 2.21 Favored Glycine 0 N--CA 1.475 1.291 0 C-N-CA 125.757 1.646 . . . . 0.0 113.592 -171.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 C-N-CA 123.834 0.731 . . . . 0.0 112.474 -174.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.56 147.02 38.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.739 1.216 . . . . 0.0 110.468 172.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 49.7 pt -133.82 157.89 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.103 1.361 . . . . 0.0 110.062 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -107.48 143.59 35.64 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.298 1.039 . . . . 0.0 111.105 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.44 117.86 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.39 1.076 . . . . 0.0 109.103 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -91.89 133.21 35.87 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.938 0.895 . . . . 0.0 111.562 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.0 p -86.47 169.49 12.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.006 1.322 . . . . 0.0 112.158 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 39.1 mt -64.78 -26.62 68.43 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.458 -0.777 . . . . 0.0 112.461 169.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -79.37 -1.75 38.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.262 1.425 . . . . 0.0 113.961 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.2 85.01 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 124.645 1.117 . . . . 0.0 114.996 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.46 143.37 40.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.933 1.293 . . . . 0.0 109.674 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -107.55 120.42 42.14 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.426 0.69 . . . . 0.0 110.386 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mt -95.64 140.71 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 126.187 1.795 . . . . 0.0 108.098 173.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -107.86 131.26 54.68 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.412 0.685 . . . . 0.0 109.706 172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -125.04 132.83 53.14 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.79 1.236 . . . . 0.0 111.156 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -87.95 122.5 31.63 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.562 0.745 . . . . 0.0 109.785 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.48 160.34 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.511 1.524 . . . . 0.0 111.05 -170.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.41 154.88 42.78 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.678 1.191 . . . . 0.0 109.556 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -56.85 -25.75 63.29 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.382 2.055 . . . . 0.0 114.111 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -80.41 -6.04 57.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.109 1.764 . . . . 0.0 114.919 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.48 137.53 57.92 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.194 1.361 . . . . 0.0 111.562 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -72.89 157.33 37.66 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.543 0.737 . . . . 0.0 111.486 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.61 -31.82 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 O-C-N 121.064 -1.023 . . . . 0.0 110.432 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.0 -41.41 87.59 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.28 -0.888 . . . . 0.0 112.493 171.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -64.01 -38.42 91.0 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.227 -0.921 . . . . 0.0 111.634 172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.76 -42.36 94.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 121.201 -0.937 . . . . 0.0 110.98 175.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.49 -40.58 91.85 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.109 0.868 . . . . 0.0 112.264 173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.81 85.03 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.782 0.833 . . . . 0.0 112.685 176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -38.67 91.85 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.2 -0.937 . . . . 0.0 112.079 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.98 -40.46 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.517 0.727 . . . . 0.0 111.031 172.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.69 -40.76 93.39 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.088 0.858 . . . . 0.0 111.435 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.66 -35.68 81.49 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -86.19 -41.35 14.74 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.209 1.189 . . . . 0.0 114.209 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.97 -12.39 14.55 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 -169.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.24 7.54 84.81 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.54 1.067 . . . . 0.0 115.368 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.37 123.96 80.84 Favored Pre-proline 0 N--CA 1.477 0.888 0 CA-C-N 118.723 1.262 . . . . 0.0 110.279 -173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.59 134.64 59.2 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.007 2.472 . . . . 0.0 112.728 177.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -53.17 -33.32 63.88 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.77 2.98 . . . . 0.0 114.765 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -64.97 -21.58 66.86 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -94.82 -12.79 26.36 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.954 1.302 . . . . 0.0 113.164 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -89.91 127.76 36.08 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.145 0.978 . . . . 0.0 112.303 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -117.01 122.42 44.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.897 1.279 . . . . 0.0 108.683 169.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 mt -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.633 0.773 . . . . 0.0 110.4 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.0 143.16 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 125.769 1.628 . . . . 0.0 109.234 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -141.12 134.19 29.29 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.191 1.397 . . . . 0.0 109.895 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.49 32.76 5.0 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.67 1.188 . . . . 0.0 114.148 -175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.62 -0.14 82.47 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.078 1.323 . . . . 0.0 116.033 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -101.0 136.16 41.29 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.749 1.62 . . . . 0.0 111.274 177.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.32 140.67 36.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.325 0.65 . . . . 0.0 111.328 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.25 144.18 31.09 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.109 1.364 . . . . 0.0 111.962 -171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.6 138.24 49.67 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.979 1.312 . . . . 0.0 113.083 -169.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.99 -42.42 60.31 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.692 1.597 . . . . 0.0 114.725 -171.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.83 90.61 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.701 1.143 . . . . 0.0 115.331 -176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.1 164.06 12.85 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.215 1.406 . . . . 0.0 110.882 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.86 162.38 16.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.56 1.544 . . . . 0.0 112.423 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.54 -34.76 69.49 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 97.8 p -71.25 -24.51 62.19 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 175.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -66.21 -29.43 69.69 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.897 1.226 . . . . 0.0 111.843 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -94.87 5.32 52.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.491 1.517 . . . . 0.0 113.482 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.55 33.48 16.38 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.88 1.672 . . . . 0.0 113.931 -174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -72.87 132.43 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.997 0.919 . . . . 0.0 109.466 176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -120.31 174.05 6.76 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.274 1.83 . . . . 0.0 111.698 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -53.66 141.37 26.33 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.929 0.871 . . . . 0.0 112.919 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 56.88 24.59 9.46 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.241 1.816 . . . . 0.0 114.417 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.2 m -68.53 148.74 50.11 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.651 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.5 m -102.58 115.62 30.95 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.701 0.801 . . . . 0.0 110.976 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.77 157.18 16.02 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.336 1.454 . . . . 0.0 109.294 169.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -121.11 120.41 35.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.724 1.21 . . . . 0.0 109.853 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.44 114.48 26.33 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.199 1.4 . . . . 0.0 110.535 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.48 145.54 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.258 2.223 . . . . 0.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.25 -174.1 3.24 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.402 1.881 . . . . 0.0 111.496 -171.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 58.28 -139.95 0.78 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.839 1.656 . . . . 0.0 111.618 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 tp -154.77 157.27 37.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.976 2.11 . . . . 0.0 109.691 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -24.34 66.7 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.66 149.92 24.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.741 1.162 . . . . 0.0 114.193 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.207 0 C-N-CA 125.445 1.498 . . . . 0.0 112.736 178.676 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -125.59 135.22 51.98 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.115 1.366 . . . . 0.0 110.32 169.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -94.27 -41.61 9.36 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 125.182 1.393 . . . . 0.0 111.4 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -66.99 -41.37 86.86 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -172.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -67.72 -52.2 40.43 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.012 0.434 . . . . 0.0 109.857 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -57.92 -43.65 86.37 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.663 1.185 . . . . 0.0 112.781 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.48 -52.28 65.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.409 0.684 . . . . 0.0 112.436 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.43 -35.11 67.45 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.739 -0.601 . . . . 0.0 112.302 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -46.81 72.2 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.354 1.061 . . . . 0.0 110.337 179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.65 -48.71 80.59 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.697 0.799 . . . . 0.0 110.763 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.09 -46.19 88.94 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.131 0.972 . . . . 0.0 111.901 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -45.79 92.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.723 1.209 . . . . 0.0 112.559 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.07 -39.12 88.69 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.562 -0.711 . . . . 0.0 111.991 173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.98 -38.18 87.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.964 0.905 . . . . 0.0 113.066 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -71.95 -40.29 68.77 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.542 -0.724 . . . . 0.0 112.025 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -62.16 -46.56 88.44 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.786 -0.571 . . . . 0.0 111.659 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.22 -47.57 78.17 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.15 0.58 . . . . 0.0 110.833 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.21 -43.29 92.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.687 -1.258 . . . . 0.0 112.947 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -67.58 -50.52 57.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.431 1.092 . . . . 0.0 111.087 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -36.5 80.15 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.293 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.48 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 119.041 0.837 . . . . 0.0 110.663 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -59.61 -39.82 85.5 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.009 0.368 . . . . 0.0 111.92 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 4.1 t -58.63 -49.49 77.31 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.082 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -61.1 -42.26 98.2 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.52 1.055 . . . . 0.0 112.055 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.52 -49.22 78.17 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.42 -40.17 95.25 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.07 -39.82 93.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.346 1.058 . . . . 0.0 112.447 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.29 -42.08 75.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.926 0.89 . . . . 0.0 112.174 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.01 -46.06 92.28 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.755 -0.591 . . . . 0.0 111.914 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.79 -35.69 80.66 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.121 0.568 . . . . 0.0 112.191 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.39 -51.28 70.59 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.929 0.892 . . . . 0.0 111.264 172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -48.95 76.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.355 0.525 . . . . 0.0 110.988 176.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -51.44 65.04 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.99 0.516 . . . . 0.0 110.741 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -57.03 -45.41 83.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.059 0.944 . . . . 0.0 111.985 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.45 86.08 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 122.981 0.513 . . . . 0.0 111.607 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.47 -52.13 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.02 0.528 . . . . 0.0 110.427 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.18 81.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.163 0.985 . . . . 0.0 112.177 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -75.12 -33.22 61.56 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.925 1.29 . . . . 0.0 111.933 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -62.29 -24.66 67.42 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.932 0.893 . . . . 0.0 112.386 171.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 10.3 mt -90.17 -42.94 10.76 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.896 1.679 . . . . 0.0 111.869 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.74 -51.65 39.06 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.066 1.347 . . . . 0.0 112.509 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 22.7 t -160.84 109.37 1.6 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.2 1.0 . . . . 0.0 110.802 174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.02 -3.21 58.93 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -76.74 155.17 83.33 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 125.248 1.419 . . . . 0.0 111.525 170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -64.77 121.0 8.39 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.538 2.159 . . . . 0.0 111.309 170.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.873 2.069 . . . . 0.0 111.49 178.688 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.82 141.24 48.16 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.471 1.108 . . . . 0.0 110.485 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 pt -128.78 159.59 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.817 1.247 . . . . 0.0 110.575 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -110.19 149.47 30.06 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.925 1.29 . . . . 0.0 111.355 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.45 121.33 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.315 1.046 . . . . 0.0 109.104 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -96.58 135.46 38.45 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.412 1.085 . . . . 0.0 111.64 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.5 p -90.91 168.39 11.72 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.995 1.318 . . . . 0.0 112.439 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.18 -25.8 67.88 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.53 -0.731 . . . . 0.0 112.73 169.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.1 p -80.2 -1.13 39.15 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.582 1.553 . . . . 0.0 113.836 174.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 11.08 84.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.683 1.135 . . . . 0.0 115.08 177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -77.62 144.88 37.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.102 1.361 . . . . 0.0 109.824 173.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -110.55 123.83 50.7 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.614 0.766 . . . . 0.0 110.387 170.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -100.48 141.1 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.403 1.881 . . . . 0.0 108.009 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.27 132.8 53.31 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.49 0.716 . . . . 0.0 109.88 171.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -125.62 133.5 52.21 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.074 1.35 . . . . 0.0 110.944 -178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.82 121.35 31.88 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.595 0.758 . . . . 0.0 109.939 173.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.01 162.53 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.306 1.442 . . . . 0.0 111.354 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.88 155.18 44.48 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 125.002 1.321 . . . . 0.0 109.499 169.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.65 -25.54 60.23 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.464 2.109 . . . . 0.0 114.047 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.1 p -80.36 -6.05 57.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.708 1.603 . . . . 0.0 114.945 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.62 137.29 57.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.168 1.349 . . . . 0.0 111.537 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -73.14 157.65 36.83 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.74 0.816 . . . . 0.0 111.433 172.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.12 -31.1 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 O-C-N 121.128 -0.982 . . . . 0.0 110.506 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -58.98 -41.54 87.83 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.286 -0.884 . . . . 0.0 112.463 170.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.7 m-20 -64.74 -38.85 92.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.125 -0.984 . . . . 0.0 111.673 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.1 -43.16 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.25 0.932 . . . . 0.0 110.969 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.73 -41.36 90.73 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.445 -0.784 . . . . 0.0 112.1 173.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.83 87.43 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.715 0.806 . . . . 0.0 112.697 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -64.37 -36.31 83.71 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.219 -0.925 . . . . 0.0 112.182 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.2 mt -69.41 -41.83 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.602 0.761 . . . . 0.0 110.97 171.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.24 -39.36 82.53 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.342 0.974 . . . . 0.0 111.582 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.46 -30.15 70.9 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -94.76 -41.45 9.25 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -107.0 -14.93 14.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.894 1.278 . . . . 0.0 114.156 -172.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.62 6.57 86.93 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.454 1.026 . . . . 0.0 115.562 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -80.74 125.75 79.62 Favored Pre-proline 0 N--CA 1.478 0.953 0 CA-C-N 118.979 1.39 . . . . 0.0 110.208 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.427 2.752 . . . . 0.0 113.583 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -55.21 -29.76 68.15 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.925 3.084 . . . . 0.0 114.489 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -68.87 -21.85 64.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.481 1.112 . . . . 0.0 113.45 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -92.56 -45.17 8.24 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 112.012 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -58.34 139.71 54.8 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 59.5 mtt-85 -123.61 125.81 45.49 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.361 1.464 . . . . 0.0 109.292 169.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 44' ' ' ILE . 66.1 mt -111.15 129.76 55.84 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.927 0.891 . . . . 0.0 110.432 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.27 138.8 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 125.569 1.547 . . . . 0.0 108.815 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -143.8 139.1 29.17 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.865 1.266 . . . . 0.0 110.082 170.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.92 3.1 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.07 16.59 71.77 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.607 1.099 . . . . 0.0 115.763 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -127.41 132.46 50.11 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.94 1.696 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.0 134.16 36.8 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 171.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.7 mt -92.73 141.83 28.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.371 1.068 . . . . 0.0 111.946 -169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.01 136.79 47.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.876 1.27 . . . . 0.0 112.884 -169.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.56 -42.55 55.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.715 1.606 . . . . 0.0 114.684 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -5.37 90.03 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.715 1.15 . . . . 0.0 115.395 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -92.89 163.48 13.68 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.975 1.31 . . . . 0.0 110.847 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 p -114.62 162.2 17.08 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.585 1.554 . . . . 0.0 112.448 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.89 -35.93 69.52 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.628 -0.67 . . . . 0.0 112.797 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.49 -24.27 62.82 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.49 -29.58 69.72 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 119.944 1.247 . . . . 0.0 111.825 173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -94.89 5.06 52.99 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.472 1.509 . . . . 0.0 113.405 174.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.03 30.06 11.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.161 1.784 . . . . 0.0 114.12 -173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.3 mt -71.69 134.01 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.217 1.007 . . . . 0.0 109.387 176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.37 175.49 8.91 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.246 1.818 . . . . 0.0 111.276 -170.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.61 16.26 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.557 0.743 . . . . 0.0 112.475 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 59.48 19.4 7.81 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.832 1.653 . . . . 0.0 115.07 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.9 m -70.69 148.12 48.36 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.061 -1.024 . . . . 0.0 111.517 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.6 m -113.89 119.5 37.48 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.89 0.876 . . . . 0.0 111.263 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.0 155.12 16.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.722 1.609 . . . . 0.0 110.319 174.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -106.95 120.31 41.72 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.074 1.35 . . . . 0.0 110.338 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.8 tp -97.49 117.43 31.73 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.071 1.349 . . . . 0.0 110.642 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.75 156.64 7.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 127.379 2.272 . . . . 0.0 109.313 176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.18 54.48 4.04 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.159 1.384 . . . . 0.0 112.286 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -75.67 -30.84 59.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.872 1.269 . . . . 0.0 113.193 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 89.6 mt -127.87 156.59 42.33 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.854 1.662 . . . . 0.0 111.784 -176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 52.9 -144.0 0.67 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.015 1.726 . . . . 0.0 111.955 -171.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.1 155.48 31.76 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.483 1.516 . . . . 0.0 113.156 -169.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.192 0 C-N-CA 124.186 0.898 . . . . 0.0 111.653 -176.469 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -114.11 135.43 54.04 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.51 1.124 . . . . 0.0 110.637 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 pt -121.92 157.74 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.904 1.282 . . . . 0.0 110.748 170.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -107.21 146.64 31.15 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.22 1.008 . . . . 0.0 110.993 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 t -130.76 119.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.286 1.034 . . . . 0.0 109.26 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -93.08 134.12 35.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.958 0.903 . . . . 0.0 111.661 175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -86.4 168.21 14.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.875 1.27 . . . . 0.0 111.981 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -63.12 -30.42 71.58 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.38 -0.825 . . . . 0.0 112.047 169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.6 p -75.47 -2.03 26.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.169 1.388 . . . . 0.0 114.095 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.07 10.2 84.19 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.679 1.133 . . . . 0.0 115.149 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.55 141.65 41.09 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.729 1.212 . . . . 0.0 109.67 172.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.0 m -106.92 120.0 40.86 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.417 0.687 . . . . 0.0 110.322 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 mt -95.77 141.04 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 126.285 1.834 . . . . 0.0 107.961 173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.88 131.5 54.44 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.283 0.633 . . . . 0.0 109.542 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -124.64 133.22 53.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.74 1.216 . . . . 0.0 111.125 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -88.89 120.88 30.7 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.631 0.772 . . . . 0.0 109.867 172.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.37 161.73 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.399 1.479 . . . . 0.0 111.13 -169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -111.57 155.67 42.6 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.838 1.255 . . . . 0.0 109.48 169.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.63 -25.75 61.19 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 122.351 2.034 . . . . 0.0 113.998 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -80.39 -5.84 57.1 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.794 1.638 . . . . 0.0 115.051 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.56 137.44 57.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.345 . . . . 0.0 111.549 173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -73.91 157.68 35.82 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.781 0.832 . . . . 0.0 111.608 172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.93 -31.36 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.238 -0.914 . . . . 0.0 110.58 170.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.94 -41.51 87.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.197 -0.939 . . . . 0.0 112.462 170.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -64.49 -38.2 90.19 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.261 -0.899 . . . . 0.0 111.747 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.82 -43.0 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 O-C-N 121.222 -0.924 . . . . 0.0 111.023 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -59.44 -41.46 89.67 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.029 0.831 . . . . 0.0 112.131 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.37 85.57 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.979 0.911 . . . . 0.0 112.725 177.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.31 -37.86 88.99 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.252 -0.905 . . . . 0.0 112.028 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.4 mt -68.74 -40.47 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.515 0.726 . . . . 0.0 111.023 172.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.25 -40.5 90.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.225 0.92 . . . . 0.0 111.484 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.92 -35.53 80.87 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -87.05 -42.35 13.14 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -107.76 -12.78 15.15 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -170.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.7 6.25 84.64 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.5 1.048 . . . . 0.0 115.413 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -82.04 122.17 79.53 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-N 118.808 1.304 . . . . 0.0 110.191 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -57.77 138.91 88.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.531 2.821 . . . . 0.0 113.098 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.45 -33.64 68.15 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.955 3.104 . . . . 0.0 114.735 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.78 -21.04 65.26 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.453 1.101 . . . . 0.0 113.726 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -95.29 -6.41 41.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.114 1.366 . . . . 0.0 112.991 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -97.63 134.34 40.95 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.093 1.357 . . . . 0.0 112.503 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -122.62 116.0 23.1 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.386 1.474 . . . . 0.0 108.559 169.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -100.35 131.25 46.39 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.515 0.726 . . . . 0.0 110.461 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.21 139.63 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.776 1.63 . . . . 0.0 109.098 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -141.21 137.96 32.98 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.886 1.275 . . . . 0.0 109.526 169.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.74 30.74 5.23 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.32 1.33 74.92 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.239 0.923 . . . . 0.0 115.273 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -101.6 137.39 39.98 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.203 1.801 . . . . 0.0 110.78 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -79.03 139.26 38.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.095 0.558 . . . . 0.0 111.058 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -101.07 145.74 28.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.864 1.266 . . . . 0.0 111.983 -170.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -112.07 138.0 49.33 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.859 1.264 . . . . 0.0 112.914 -169.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.34 -41.95 60.93 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.587 1.555 . . . . 0.0 114.622 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.23 -4.83 90.4 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.364 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -94.39 163.67 13.33 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.052 1.341 . . . . 0.0 110.858 175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.83 162.58 17.11 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.54 1.536 . . . . 0.0 112.541 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.57 -34.26 69.02 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.88 -24.62 61.7 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.31 -30.38 70.78 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.973 1.261 . . . . 0.0 111.754 173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -94.54 3.7 54.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.472 1.509 . . . . 0.0 113.587 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 52.88 35.56 19.32 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.769 1.627 . . . . 0.0 113.993 -174.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.5 mt -72.96 139.85 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.542 1.137 . . . . 0.0 109.43 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -126.52 175.05 8.2 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.177 1.391 . . . . 0.0 112.465 -171.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -57.38 139.53 52.79 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.477 0.711 . . . . 0.0 111.352 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 62.82 8.0 2.86 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 65.2 m -66.99 147.19 53.54 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.445 -1.409 . . . . 0.0 112.154 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.4 m -108.21 120.82 43.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.262 1.025 . . . . 0.0 111.448 177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.05 161.29 13.89 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.873 1.669 . . . . 0.0 109.476 169.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -125.73 122.04 35.12 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.273 1.029 . . . . 0.0 110.122 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -98.04 107.73 20.27 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.199 1.399 . . . . 0.0 110.588 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.34 143.82 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 126.289 1.836 . . . . 0.0 108.525 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.8 mt -128.89 156.44 43.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.357 1.463 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.98 -56.74 2.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.211 1.004 . . . . 0.0 113.214 179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.4 mt -145.89 146.75 31.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.322 1.449 . . . . 0.0 111.369 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -109.11 -8.83 15.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.351 1.46 . . . . 0.0 113.387 169.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 174.35 -154.78 19.93 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.488 1.518 . . . . 0.0 112.521 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 C-N-CA 125.287 1.423 . . . . 0.0 114.001 176.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 119.912 -0.09 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -136.43 142.18 43.64 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.552 1.141 . . . . 0.0 112.513 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -94.09 -55.37 3.23 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.065 1.746 . . . . 0.0 110.804 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.73 -37.98 87.9 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.372 1.069 . . . . 0.0 113.568 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.51 -53.94 16.65 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.08 -43.68 78.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.943 1.297 . . . . 0.0 112.105 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.58 -64.07 0.99 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.573 0.749 . . . . 0.0 111.915 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.48 -38.07 58.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.509 1.124 . . . . 0.0 112.789 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 22.9 tp -67.55 -42.84 82.02 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 127.335 2.254 . . . . 0.0 110.982 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.62 84.8 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.348 0.522 . . . . 0.0 111.176 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.69 97.83 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.732 -0.605 . . . . 0.0 111.792 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -44.02 94.84 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.229 1.812 . . . . 0.0 112.544 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.9 mtm -64.53 -38.08 89.78 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 121.143 -0.973 . . . . 0.0 111.351 173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -39.05 92.91 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 174.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -78.6 -34.69 46.59 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.168 -0.957 . . . . 0.0 112.235 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -60.09 -48.86 79.96 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.571 -0.706 . . . . 0.0 111.462 170.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -53.81 -47.6 70.68 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.591 0.757 . . . . 0.0 111.158 174.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.99 -44.0 86.9 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 69.5 mtp85 -65.53 -48.25 73.15 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.503 0.721 . . . . 0.0 111.642 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.59 -33.39 73.97 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.31 -46.29 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.307 0.643 . . . . 0.0 110.969 173.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -60.63 -41.4 94.81 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.587 -0.695 . . . . 0.0 111.654 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 72.5 m -61.57 -46.46 89.77 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -71.33 -33.02 69.25 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.461 1.028 . . . . 0.0 112.779 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.22 -44.9 93.95 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.066 0.848 . . . . 0.0 111.868 172.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.26 -40.36 93.84 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.629 -0.67 . . . . 0.0 112.278 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -64.27 -41.03 97.12 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.826 -0.607 . . . . 0.0 112.541 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -69.33 -40.59 77.49 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.624 1.102 . . . . 0.0 112.89 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.67 -45.12 95.35 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.723 -0.611 . . . . 0.0 111.908 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -72.44 -34.11 67.56 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.943 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.402 HD13 ' C ' ' C' ' 109' ' ' LEU . 3.1 tm? -54.71 -52.76 61.41 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.671 1.578 . . . . 0.0 111.514 171.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.19 -49.13 76.95 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.365 0.53 . . . . 0.0 110.373 177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -52.36 63.19 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.834 -0.541 . . . . 0.0 111.84 176.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -51.68 -49.11 63.05 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.119 2.167 . . . . 0.0 110.783 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.08 70.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.837 1.255 . . . . 0.0 111.735 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.75 -49.98 80.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 121.334 -0.853 . . . . 0.0 110.727 175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.62 76.0 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.635 0.731 . . . . 0.0 110.6 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -69.06 -28.83 66.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.565 1.546 . . . . 0.0 111.829 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -65.02 -23.99 67.36 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.652 0.781 . . . . 0.0 112.685 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.9 -50.76 6.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.27 1.428 . . . . 0.0 111.241 171.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.63 -38.2 86.79 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.697 1.999 . . . . 0.0 113.171 -172.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -132.85 51.74 2.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.638 1.575 . . . . 0.0 110.502 -174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.11 -16.63 64.09 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.562 1.145 . . . . 0.0 113.974 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -116.08 149.99 44.36 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 126.996 2.118 . . . . 0.0 110.585 174.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -64.59 145.76 87.78 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.249 2.633 . . . . 0.0 113.035 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.245 1.818 . . . . 0.0 111.55 -178.505 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.17 141.3 47.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.679 1.192 . . . . 0.0 110.616 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 pt -129.52 159.77 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.894 1.278 . . . . 0.0 110.636 169.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -110.85 148.25 32.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.022 1.329 . . . . 0.0 111.278 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 t -132.8 121.45 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.349 1.059 . . . . 0.0 109.176 175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -97.09 133.21 42.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.386 1.075 . . . . 0.0 111.892 177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.3 p -86.86 168.97 12.95 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.133 1.373 . . . . 0.0 112.254 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.22 -22.82 65.69 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.484 -0.76 . . . . 0.0 112.872 170.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.1 p -81.31 -1.74 46.37 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.406 1.482 . . . . 0.0 113.802 172.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.56 10.61 84.18 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.728 1.156 . . . . 0.0 115.095 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -77.27 143.25 39.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.845 1.258 . . . . 0.0 109.872 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.0 m -108.73 123.17 48.59 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.599 0.76 . . . . 0.0 110.472 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mt -99.15 140.75 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 126.425 1.89 . . . . 0.0 108.065 174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.94 132.19 53.75 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.497 0.719 . . . . 0.0 109.776 172.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.9 mt -126.12 132.41 51.87 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 111.104 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.98 122.47 31.62 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.572 0.749 . . . . 0.0 109.879 171.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.51 161.47 6.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.443 1.497 . . . . 0.0 111.106 -170.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.52 155.02 43.59 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.769 1.228 . . . . 0.0 109.613 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -56.66 -25.74 61.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 122.418 2.078 . . . . 0.0 114.029 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.72 -5.58 57.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.716 1.607 . . . . 0.0 114.942 175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.58 57.97 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.232 1.378 . . . . 0.0 111.456 173.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.98 157.25 37.78 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.597 0.759 . . . . 0.0 111.302 172.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.1 mm -62.25 -31.4 51.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.06 -1.025 . . . . 0.0 110.492 170.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.81 -41.44 86.81 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.278 -0.889 . . . . 0.0 112.47 171.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.79 -38.19 90.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.654 172.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.48 -42.32 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.168 -0.958 . . . . 0.0 111.038 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -59.93 -41.14 91.15 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.207 0.912 . . . . 0.0 112.108 172.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.98 85.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.894 0.878 . . . . 0.0 112.746 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -64.36 -38.94 92.79 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.172 -0.955 . . . . 0.0 112.04 173.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.83 -40.72 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.487 0.715 . . . . 0.0 110.941 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.71 -40.96 94.2 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.96 0.8 . . . . 0.0 111.561 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.68 -35.97 82.29 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.41 -41.47 15.39 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -110.49 -12.36 14.39 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -169.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.5 6.91 85.01 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.483 1.04 . . . . 0.0 115.293 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.86 122.16 83.03 Favored Pre-proline 0 N--CA 1.477 0.909 0 CA-C-N 118.791 1.296 . . . . 0.0 109.839 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.53 140.36 90.89 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.913 2.409 . . . . 0.0 112.633 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -55.3 -33.6 85.61 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.514 2.809 . . . . 0.0 114.42 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.45 -13.14 61.76 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.544 1.138 . . . . 0.0 113.845 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -107.35 9.24 29.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.291 1.837 . . . . 0.0 112.831 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -115.38 127.69 55.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.613 1.165 . . . . 0.0 113.021 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -117.05 124.55 49.55 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.791 1.636 . . . . 0.0 107.897 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -107.43 131.44 54.28 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.571 0.748 . . . . 0.0 109.854 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.6 137.92 53.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.519 0 C-N-CA 125.617 1.567 . . . . 0.0 108.696 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -141.3 135.75 30.89 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.631 1.172 . . . . 0.0 109.964 170.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 30.03 2.75 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.55 12.28 72.84 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.674 1.13 . . . . 0.0 115.876 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.23 132.32 54.75 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.867 1.667 . . . . 0.0 110.106 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -79.58 134.44 36.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.092 0.557 . . . . 0.0 109.949 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.3 mt -94.56 136.78 34.48 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.417 1.087 . . . . 0.0 111.47 -169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.02 138.77 41.64 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.944 1.298 . . . . 0.0 113.092 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.31 -40.64 62.12 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.403 1.481 . . . . 0.0 114.586 -171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.3 -2.85 90.67 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.745 1.164 . . . . 0.0 115.306 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -98.24 164.22 12.4 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.331 1.452 . . . . 0.0 111.02 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.54 162.31 17.38 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 112.445 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.29 -35.35 69.7 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.53 -0.731 . . . . 0.0 112.938 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.4 p -70.74 -24.29 62.59 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 175.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.24 -28.89 69.07 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 120.044 1.293 . . . . 0.0 111.918 173.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -95.96 5.36 51.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.571 1.548 . . . . 0.0 113.554 174.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 54.24 30.62 12.67 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.099 1.76 . . . . 0.0 114.175 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.99 134.21 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.231 1.012 . . . . 0.0 109.307 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -129.29 175.51 8.68 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.131 1.772 . . . . 0.0 111.441 -170.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 141.81 16.22 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.476 0.711 . . . . 0.0 112.516 176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.51 19.49 7.95 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.946 1.698 . . . . 0.0 115.059 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.5 m -70.41 147.01 49.99 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.028 -1.045 . . . . 0.0 111.494 171.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.6 m -112.05 119.5 38.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.915 0.886 . . . . 0.0 111.093 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.29 152.64 18.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.721 1.609 . . . . 0.0 110.046 174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -105.05 123.38 47.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.951 1.3 . . . . 0.0 110.018 175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -101.1 117.65 35.43 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.047 1.339 . . . . 0.0 110.607 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.6 t -103.4 136.45 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 126.433 1.893 . . . . 0.0 109.369 174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.19 -179.15 3.55 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.482 1.913 . . . . 0.0 111.357 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 59.04 75.47 0.4 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.431 1.892 . . . . 0.0 113.218 173.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.71 -177.49 3.84 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.985 1.714 . . . . 0.0 112.113 174.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -56.55 -32.76 65.45 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.857 1.663 . . . . 0.0 115.262 -169.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.67 -139.57 41.41 Favored Glycine 0 CA--C 1.538 1.481 0 CA-C-N 118.641 0.655 . . . . 0.0 112.152 -173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.79 0 C-N-CA 123.997 0.808 . . . . 0.0 114.053 173.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -114.15 138.15 50.82 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.624 1.17 . . . . 0.0 110.583 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -124.84 158.28 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.828 1.251 . . . . 0.0 110.79 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -107.78 148.12 29.92 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.291 1.037 . . . . 0.0 111.234 175.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.71 118.98 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.308 1.043 . . . . 0.0 109.243 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -92.41 133.65 35.68 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.049 0.94 . . . . 0.0 111.57 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.4 p -87.49 169.2 12.42 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.832 1.253 . . . . 0.0 112.278 178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.2 mt -64.25 -25.44 68.06 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.428 -0.795 . . . . 0.0 112.647 169.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -81.26 -1.65 45.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.433 1.493 . . . . 0.0 114.001 174.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.44 10.27 84.74 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.608 1.099 . . . . 0.0 115.045 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -76.4 143.21 40.8 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.962 1.305 . . . . 0.0 109.622 172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.0 m -107.84 120.65 42.87 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.38 0.672 . . . . 0.0 110.367 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -95.97 141.97 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.863 . . . . 0.0 108.019 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.0 m -109.25 132.14 54.41 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.494 0.718 . . . . 0.0 109.693 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -125.86 132.42 52.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.814 1.246 . . . . 0.0 111.051 -178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -87.37 122.03 30.59 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.556 0.742 . . . . 0.0 109.841 172.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 161.92 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.58 1.552 . . . . 0.0 111.035 -170.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.71 155.5 42.99 Favored Pre-proline 0 CA--C 1.543 0.699 0 C-N-CA 124.812 1.245 . . . . 0.0 109.564 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.69 -25.89 62.55 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.466 2.111 . . . . 0.0 114.071 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.48 -5.87 57.29 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.837 1.655 . . . . 0.0 114.949 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.63 137.72 57.99 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.201 1.364 . . . . 0.0 111.543 173.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.9 p -73.59 157.49 36.57 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.641 0.776 . . . . 0.0 111.557 172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.8 -31.8 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.11 -0.994 . . . . 0.0 110.476 170.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.71 -41.53 86.52 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.283 -0.885 . . . . 0.0 112.59 170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -64.18 -38.23 90.3 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.204 -0.935 . . . . 0.0 111.675 173.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.45 -42.29 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.21 -0.931 . . . . 0.0 111.124 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -59.63 -41.04 89.56 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.089 0.858 . . . . 0.0 112.214 172.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.18 -38.12 84.84 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.843 0.857 . . . . 0.0 112.786 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.15 -38.61 91.68 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.194 -0.941 . . . . 0.0 111.959 172.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.99 -40.69 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.59 0.756 . . . . 0.0 111.089 172.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.94 -40.29 92.7 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.28 -0.888 . . . . 0.0 111.486 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.02 -36.25 82.76 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -85.55 -41.68 15.08 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -110.29 -12.36 14.45 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -169.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 7.41 84.33 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.456 1.027 . . . . 0.0 115.425 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.1 mt -80.68 123.98 82.18 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 118.769 1.284 . . . . 0.0 110.504 -173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.49 133.67 53.43 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.188 2.592 . . . . 0.0 113.048 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.18 -31.52 55.68 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.038 3.158 . . . . 0.0 114.975 178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -67.11 -23.58 65.84 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.263 1.025 . . . . 0.0 113.683 176.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -92.32 -17.51 24.62 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.632 1.173 . . . . 0.0 113.034 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -83.57 131.78 34.96 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.623 1.169 . . . . 0.0 112.445 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -122.92 113.12 18.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.739 1.616 . . . . 0.0 108.676 169.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -95.53 128.22 42.21 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.314 0.646 . . . . 0.0 109.985 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.62 143.87 24.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 125.903 1.681 . . . . 0.0 108.739 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -142.42 132.7 24.83 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.959 1.304 . . . . 0.0 109.498 169.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.0 35.43 6.81 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -174.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.33 -1.38 71.0 Favored Glycine 0 CA--C 1.541 1.715 0 C-N-CA 125.035 1.303 . . . . 0.0 115.98 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -99.44 135.18 41.24 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.638 1.575 . . . . 0.0 111.049 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -79.2 139.01 38.06 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.181 0.593 . . . . 0.0 110.841 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.0 mt -99.5 148.26 24.44 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.054 1.341 . . . . 0.0 112.297 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.51 137.3 52.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.946 1.299 . . . . 0.0 112.912 -169.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.6 -43.02 56.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.761 1.624 . . . . 0.0 114.769 -170.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.67 90.42 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.764 1.173 . . . . 0.0 115.305 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -94.03 163.72 13.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.011 1.324 . . . . 0.0 110.946 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.11 162.17 17.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.524 1.53 . . . . 0.0 112.482 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.74 -34.36 69.45 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.22 -24.53 62.22 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.39 -28.83 68.94 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.974 1.261 . . . . 0.0 111.811 173.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.94 4.53 51.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.579 1.552 . . . . 0.0 113.599 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 53.97 32.34 15.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.929 1.691 . . . . 0.0 114.108 -174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.0 138.21 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.508 1.123 . . . . 0.0 109.13 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -129.5 179.09 6.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.676 1.591 . . . . 0.0 111.951 -169.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.32 138.95 49.87 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.589 -0.694 . . . . 0.0 111.936 171.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 60.64 13.15 4.07 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.878 1.671 . . . . 0.0 115.449 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.7 m -66.3 144.05 56.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.724 -1.235 . . . . 0.0 111.298 169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 51.8 m -108.79 120.09 41.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.07 0.948 . . . . 0.0 111.191 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.59 160.89 14.28 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.835 1.654 . . . . 0.0 109.977 170.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -123.55 116.19 22.75 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 124.957 1.303 . . . . 0.0 109.308 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 tp -95.09 106.91 18.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -175.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.55 146.63 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 125.775 1.63 . . . . 0.0 107.754 169.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -121.07 136.72 54.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.041 0.936 . . . . 0.0 110.419 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -125.73 114.63 18.89 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.013 0.925 . . . . 0.0 111.593 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -160.69 169.45 22.79 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 128.246 2.618 . . . . 0.0 109.355 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -141.58 145.86 35.57 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.092 0.957 . . . . 0.0 111.427 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.78 -21.64 1.47 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.417 1.008 . . . . 0.0 115.143 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 CA-C-O 118.237 -1.313 . . . . 0.0 113.276 178.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -136.53 132.74 35.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.148 1.379 . . . . 0.0 110.021 169.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -94.37 -41.67 9.29 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.752 1.221 . . . . 0.0 112.038 175.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -63.02 -42.51 99.82 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.504 1.047 . . . . 0.0 112.973 -172.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -66.64 -54.35 24.23 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.063 0.545 . . . . 0.0 109.924 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -57.3 -44.87 84.46 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -59.77 4.52 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.397 1.079 . . . . 0.0 110.32 173.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.3 -33.94 59.86 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.55 -45.2 76.34 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 125.47 1.508 . . . . 0.0 109.574 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.88 -43.65 86.2 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.06 0.544 . . . . 0.0 110.756 173.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -62.52 -46.12 89.86 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 121.697 -0.627 . . . . 0.0 111.388 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.19 74.49 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.556 1.542 . . . . 0.0 112.263 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.18 -34.11 77.61 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.675 -0.641 . . . . 0.0 111.839 177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -63.97 -45.31 89.66 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.889 0.876 . . . . 0.0 112.895 175.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.37 -41.36 89.55 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 121.459 -0.776 . . . . 0.0 112.238 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.01 -48.21 82.63 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.933 0.788 . . . . 0.0 111.614 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -58.6 -43.82 89.69 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.043 0.537 . . . . 0.0 111.74 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.33 -44.04 92.67 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.23 -0.918 . . . . 0.0 112.864 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -64.91 -49.14 71.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.223 1.009 . . . . 0.0 111.232 -177.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.62 -37.55 85.09 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.28 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.95 -47.6 92.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 119.713 1.142 . . . . 0.0 110.609 174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -56.83 -39.93 75.12 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.405 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.4 m -61.22 -42.46 98.64 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.248 -0.882 . . . . 0.0 113.188 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -63.21 -43.66 97.51 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 120.625 1.557 . . . . 0.0 111.928 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.0 -40.15 94.51 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -66.73 -40.07 88.24 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 121.385 -0.822 . . . . 0.0 112.281 174.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -65.31 -36.51 84.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.578 0.751 . . . . 0.0 112.583 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.09 -51.08 65.73 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.646 1.178 . . . . 0.0 111.84 174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.45 -45.46 94.19 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 175.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -60.8 -45.14 95.59 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.642 -0.694 . . . . 0.0 111.409 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.62 -46.12 91.46 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 119.309 0.959 . . . . 0.0 111.793 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 53.2 tp -54.63 -47.44 73.46 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 122.004 -0.435 . . . . 0.0 110.345 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -49.24 70.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 117.913 -1.042 . . . . 0.0 112.113 170.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -51.73 -50.69 60.07 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.112 1.323 . . . . 0.0 110.606 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.14 65.15 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.328 -174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.07 -48.7 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.048 0.386 . . . . 0.0 111.186 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.62 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.85 0.86 . . . . 0.0 112.176 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -76.7 -30.24 56.62 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 124.903 1.281 . . . . 0.0 112.204 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 39.7 m -67.79 -17.57 64.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.631 -0.668 . . . . 0.0 112.566 169.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.75 -42.01 9.37 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.567 1.547 . . . . 0.0 111.641 173.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -71.08 -37.87 72.43 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.426 1.49 . . . . 0.0 113.224 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 56.2 p -145.41 71.85 1.3 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.909 1.284 . . . . 0.0 111.138 -173.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.8 t -78.02 -43.25 29.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.237 0.615 . . . . 0.0 112.067 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -87.19 -55.62 0.35 Allowed Pre-proline 0 N--CA 1.48 1.033 0 CA-C-O 117.286 -1.34 . . . . 0.0 113.697 177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -74.78 166.16 29.91 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.559 2.173 . . . . 0.0 112.576 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.255 1.383 0 C-N-CA 126.007 1.723 . . . . 0.0 113.609 -175.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -114.55 141.18 48.07 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.627 1.171 . . . . 0.0 110.554 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -129.47 160.05 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.84 1.256 . . . . 0.0 110.517 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.95 148.77 31.78 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.925 1.29 . . . . 0.0 111.341 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.17 122.63 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.297 1.039 . . . . 0.0 109.207 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -97.28 133.52 41.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.301 1.041 . . . . 0.0 111.829 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.54 169.69 12.56 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.111 1.365 . . . . 0.0 112.271 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -66.2 -24.11 66.57 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.486 -0.758 . . . . 0.0 112.907 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.36 -1.49 45.64 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.442 1.497 . . . . 0.0 113.777 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 10.39 85.04 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.681 1.134 . . . . 0.0 115.15 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.26 142.63 41.33 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.83 1.252 . . . . 0.0 109.771 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -107.81 123.09 48.05 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.473 0.709 . . . . 0.0 110.496 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -98.95 140.4 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.536 1.934 . . . . 0.0 107.983 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -107.9 131.97 53.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.529 0.732 . . . . 0.0 109.868 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -125.76 132.5 52.3 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.956 1.303 . . . . 0.0 111.029 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.58 122.13 31.7 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.626 0.771 . . . . 0.0 109.845 172.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.54 161.73 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.466 1.506 . . . . 0.0 111.206 -170.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.0 155.32 43.52 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.775 1.23 . . . . 0.0 109.517 169.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.77 -25.63 61.89 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.42 2.08 . . . . 0.0 114.012 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.42 -5.8 57.08 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.847 1.659 . . . . 0.0 114.923 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.79 137.47 57.8 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 120.158 1.344 . . . . 0.0 111.514 173.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.7 p -73.2 157.26 37.49 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.81 -31.31 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 121.144 -0.973 . . . . 0.0 110.467 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.03 -41.36 87.61 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.268 -0.895 . . . . 0.0 112.538 170.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.25 -38.3 90.57 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.258 -0.901 . . . . 0.0 111.588 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.09 -42.08 93.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 O-C-N 121.248 -0.908 . . . . 0.0 110.984 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -59.87 -41.57 91.78 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.224 0.92 . . . . 0.0 112.148 173.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.69 88.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.754 0.822 . . . . 0.0 112.652 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.13 -38.35 90.75 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.276 -0.89 . . . . 0.0 112.18 173.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.28 -41.05 83.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.603 0.761 . . . . 0.0 110.973 172.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.32 -41.21 93.02 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.027 0.831 . . . . 0.0 111.442 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.26 77.95 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -88.2 -42.18 12.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -108.98 -12.89 14.81 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -170.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.17 5.51 81.16 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.511 1.053 . . . . 0.0 115.382 -177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 40.0 mt -77.59 121.4 84.28 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.92 1.36 . . . . 0.0 109.646 -176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.86 139.67 81.11 Favored 'Trans proline' 0 CA--C 1.542 0.909 0 C-N-CA 122.747 2.298 . . . . 0.0 112.525 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -54.01 -33.28 72.31 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.706 2.937 . . . . 0.0 114.768 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.33 -20.86 66.2 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -92.74 -11.94 32.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.732 1.213 . . . . 0.0 113.092 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -94.39 131.33 40.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.334 1.054 . . . . 0.0 112.911 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -122.17 121.84 37.81 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.606 1.563 . . . . 0.0 108.391 169.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.0 mt -104.48 131.03 52.31 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.772 0.829 . . . . 0.0 109.923 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.406 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.5 mp -121.84 139.51 48.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.812 1.645 . . . . 0.0 108.432 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -146.02 138.0 25.16 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.603 1.161 . . . . 0.0 110.434 172.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 32.91 3.26 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.148 1.379 . . . . 0.0 114.601 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 21.79 67.16 Favored Glycine 0 CA--C 1.536 1.401 0 N-CA-C 115.805 1.082 . . . . 0.0 115.805 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -130.45 135.75 48.31 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.848 1.659 . . . . 0.0 110.44 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -81.07 135.45 35.82 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.338 0.655 . . . . 0.0 110.102 173.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.4 mt -95.45 143.58 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.9 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.76 138.14 48.74 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.941 1.296 . . . . 0.0 113.243 -169.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.12 -42.3 60.61 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.739 1.616 . . . . 0.0 114.71 -171.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.08 -3.24 90.71 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.688 1.137 . . . . 0.0 115.312 -177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.11 163.19 13.03 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.232 1.413 . . . . 0.0 110.932 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.1 162.31 16.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.538 1.535 . . . . 0.0 112.424 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.6 mt -57.24 -35.55 69.85 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.559 -0.713 . . . . 0.0 112.802 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -70.67 -24.39 62.68 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.99 69.06 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.92 1.236 . . . . 0.0 111.824 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.9 5.36 51.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.578 1.551 . . . . 0.0 113.548 174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.17 29.86 11.21 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.045 1.738 . . . . 0.0 114.15 -173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -71.51 134.1 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.244 1.018 . . . . 0.0 109.273 176.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -129.81 175.5 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.131 1.772 . . . . 0.0 111.355 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.61 16.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.5 0.72 . . . . 0.0 112.511 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 59.72 19.48 8.21 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.903 1.681 . . . . 0.0 115.119 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.7 m -70.55 147.27 49.49 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.112 -0.992 . . . . 0.0 111.519 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 57.1 m -113.28 118.88 35.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.857 0.863 . . . . 0.0 111.308 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.93 154.17 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.768 1.627 . . . . 0.0 110.35 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -106.82 121.47 44.47 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.402 1.481 . . . . 0.0 109.804 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -99.9 118.21 35.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.626 1.17 . . . . 0.0 110.8 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.06 140.01 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 126.259 1.824 . . . . 0.0 109.273 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.14 151.69 31.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.184 1.394 . . . . 0.0 111.313 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -148.86 30.39 0.8 Allowed 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.9 mt 55.34 -149.34 0.45 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.329 1.452 . . . . 0.0 111.955 -173.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 52.4 48.15 23.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.205 1.802 . . . . 0.0 113.948 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.8 -32.42 84.11 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 123.982 0.801 . . . . 0.0 114.607 -173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.622 0 C-N-CA 124.556 1.074 . . . . 0.0 112.324 171.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 138.15 50.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.462 1.105 . . . . 0.0 110.539 174.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.76 157.49 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.718 1.207 . . . . 0.0 110.88 169.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -108.22 143.77 36.58 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.139 0.976 . . . . 0.0 110.928 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -129.68 118.09 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.364 1.065 . . . . 0.0 109.281 175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -92.03 133.18 35.96 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.996 0.918 . . . . 0.0 111.64 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.2 p -86.16 169.54 13.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.927 1.291 . . . . 0.0 112.185 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.09 -26.57 68.61 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.425 -0.797 . . . . 0.0 112.622 169.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.1 p -80.45 -1.72 42.77 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.39 1.476 . . . . 0.0 114.008 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.35 10.2 84.93 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.65 1.119 . . . . 0.0 115.087 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.21 143.28 41.13 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.857 1.263 . . . . 0.0 109.653 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.4 m -107.18 120.81 43.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.348 0.659 . . . . 0.0 110.408 171.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.17 140.25 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.261 1.824 . . . . 0.0 108.072 173.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.29 131.66 53.96 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.374 0.67 . . . . 0.0 109.641 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.8 mt -124.94 132.65 53.25 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.587 1.155 . . . . 0.0 111.084 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.89 121.48 30.36 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 109.846 172.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.6 m -148.36 162.07 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.45 1.5 . . . . 0.0 111.026 -170.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -112.27 155.6 43.33 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.874 1.27 . . . . 0.0 109.562 169.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.62 -25.76 61.18 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 122.433 2.089 . . . . 0.0 114.106 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.2 p -80.61 -5.66 57.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.756 1.622 . . . . 0.0 114.982 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.73 137.8 58.01 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.128 1.331 . . . . 0.0 111.529 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -73.96 157.64 35.83 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.759 0.824 . . . . 0.0 111.5 172.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.3 mm -62.0 -31.47 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 O-C-N 121.194 -0.941 . . . . 0.0 110.529 169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.97 -41.36 87.34 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.269 -0.895 . . . . 0.0 112.511 170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.34 -38.16 90.07 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.218 -0.926 . . . . 0.0 111.671 172.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.0 t -65.19 -42.55 94.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 121.216 -0.927 . . . . 0.0 111.041 175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -59.47 -41.34 89.51 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.023 0.828 . . . . 0.0 112.175 172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.48 86.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.904 0.881 . . . . 0.0 112.673 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.11 -38.76 92.23 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.238 -0.914 . . . . 0.0 112.015 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.27 -40.37 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.556 0.742 . . . . 0.0 111.045 172.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -61.18 -39.95 92.06 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.271 -0.893 . . . . 0.0 111.461 174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.09 -36.25 82.68 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -85.63 -41.25 15.37 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -110.88 -12.35 14.26 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -169.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.21 7.6 84.77 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.377 0.989 . . . . 0.0 115.483 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.8 mt -81.05 124.98 80.79 Favored Pre-proline 0 N--CA 1.476 0.87 0 CA-C-N 118.721 1.261 . . . . 0.0 110.547 -172.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.63 134.99 61.24 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 C-N-CA 123.18 2.586 . . . . 0.0 113.075 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.08 -30.99 62.67 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 123.842 3.028 . . . . 0.0 115.205 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -69.0 -24.86 64.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.125 0.97 . . . . 0.0 113.439 176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -88.77 -16.72 31.44 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.738 1.215 . . . . 0.0 112.915 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -85.38 133.21 34.13 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.71 1.204 . . . . 0.0 112.442 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -124.82 118.06 25.52 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.715 1.606 . . . . 0.0 108.735 169.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.3 mt -102.63 131.5 49.36 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.615 0.766 . . . . 0.0 110.489 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -121.26 142.89 35.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.797 1.639 . . . . 0.0 109.3 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -140.4 134.49 30.9 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.168 1.387 . . . . 0.0 109.718 169.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.5 33.21 5.44 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 -0.22 79.94 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 125.007 1.289 . . . . 0.0 115.982 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -100.96 135.65 42.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.792 1.637 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -79.76 140.73 36.82 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 0.0 111.331 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -102.42 145.46 29.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.128 1.371 . . . . 0.0 112.037 -170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.38 137.98 50.72 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.842 1.257 . . . . 0.0 112.994 -169.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.21 -43.12 52.6 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.799 1.64 . . . . 0.0 114.777 -170.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -4.53 90.39 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.712 1.149 . . . . 0.0 115.309 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -94.16 163.63 13.38 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.048 1.339 . . . . 0.0 110.945 175.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.19 161.97 17.7 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.551 1.54 . . . . 0.0 112.578 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.6 mt -57.35 -34.94 69.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.63 62.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.28 -28.48 68.74 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.878 1.217 . . . . 0.0 111.81 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -97.38 4.59 50.65 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.655 1.582 . . . . 0.0 113.484 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 54.11 31.12 13.22 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.089 1.756 . . . . 0.0 114.106 -173.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.6 137.11 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.347 1.059 . . . . 0.0 109.075 175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -131.13 -178.55 4.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.82 1.648 . . . . 0.0 111.751 -169.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -56.47 139.59 48.71 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.511 -0.743 . . . . 0.0 111.483 173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 60.93 12.57 3.96 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -64.24 143.48 57.85 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.995 -1.065 . . . . 0.0 111.739 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 11.2 m -104.43 116.06 31.45 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.34 1.056 . . . . 0.0 110.975 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.06 158.82 15.27 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.317 1.447 . . . . 0.0 109.659 169.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -123.32 120.66 33.71 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.81 1.244 . . . . 0.0 109.61 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.4 tp -97.43 106.65 19.01 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.163 1.385 . . . . 0.0 110.467 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.0 t -88.92 146.16 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 126.218 1.807 . . . . 0.0 108.106 169.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 96.1 mt -127.58 139.33 52.82 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.198 0.999 . . . . 0.0 111.215 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -121.55 118.74 30.03 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.708 1.203 . . . . 0.0 111.444 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.71 152.27 23.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.657 1.583 . . . . 0.0 110.928 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -137.17 156.09 48.76 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.15 1.78 . . . . 0.0 111.178 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.65 -172.28 53.97 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.243 0.925 . . . . 0.0 113.826 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.346 0 C-N-CA 125.307 1.432 . . . . 0.0 113.825 179.731 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t -119.98 130.38 54.73 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.926 1.29 . . . . 0.0 109.788 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -94.33 -47.5 6.57 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 125.242 1.417 . . . . 0.0 110.985 -176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -71.01 -37.49 72.65 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -170.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -68.64 -51.17 45.05 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.441 0.697 . . . . 0.0 109.751 178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -58.61 -42.29 87.8 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.488 1.115 . . . . 0.0 112.706 174.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.24 -53.61 56.33 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.637 0.775 . . . . 0.0 112.234 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -35.31 67.57 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.538 -0.726 . . . . 0.0 112.477 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 -45.92 78.08 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.172 0.989 . . . . 0.0 110.504 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.99 83.82 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.609 0.764 . . . . 0.0 110.835 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.86 -43.7 86.13 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.443 1.097 . . . . 0.0 112.053 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -45.62 83.12 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.788 1.235 . . . . 0.0 112.691 179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -60.36 -40.1 89.57 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.092 -1.005 . . . . 0.0 111.722 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.64 -38.85 92.68 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.02 0.928 . . . . 0.0 112.996 175.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -36.25 62.0 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.547 -0.721 . . . . 0.0 111.299 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -62.38 -48.57 79.19 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.472 172.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.23 -49.06 70.33 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.255 0.479 . . . . 0.0 111.052 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.88 84.9 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 121.422 -0.798 . . . . 0.0 112.86 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -68.54 -47.43 66.93 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.758 1.223 . . . . 0.0 111.556 -175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.9 -34.38 75.31 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.13 -46.95 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.638 0.654 . . . . 0.0 111.148 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -60.71 -41.63 95.64 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.602 -0.686 . . . . 0.0 111.617 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -63.6 -44.78 92.98 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.98 -31.55 64.6 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.139 0.881 . . . . 0.0 112.689 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -67.7 -42.19 82.4 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.149 0.886 . . . . 0.0 112.532 172.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.19 -42.52 99.34 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.72 -0.613 . . . . 0.0 111.756 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -66.82 -37.57 84.76 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -62.85 -47.39 83.61 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.455 1.025 . . . . 0.0 111.724 174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.4 -44.6 90.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.097 0.408 . . . . 0.0 112.034 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.12 -37.61 81.32 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.657 -0.652 . . . . 0.0 112.336 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.16 -51.69 68.9 Favored 'General case' 0 C--N 1.342 0.274 0 O-C-N 121.169 -0.957 . . . . 0.0 111.137 171.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 62.1 tp -56.51 -47.31 79.6 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 122.911 0.484 . . . . 0.0 110.657 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -51.42 68.78 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.532 0.733 . . . . 0.0 111.455 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -56.66 -43.89 80.84 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.898 0.879 . . . . 0.0 111.773 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.56 84.73 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.39 0.676 . . . . 0.0 111.358 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.9 -51.88 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.097 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.94 87.08 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.996 0.816 . . . . 0.0 111.627 -174.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.67 -21.86 62.54 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.085 -1.009 . . . . 0.0 112.992 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 7.8 t -60.02 -39.4 85.7 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -34.47 16.78 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 173.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -74.06 -23.04 59.32 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 7.4 t -131.29 50.71 2.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.271 1.829 . . . . 0.0 109.859 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 21.9 p -73.86 -20.68 60.36 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.389 1.076 . . . . 0.0 113.303 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -70.73 158.85 87.03 Favored Pre-proline 0 N--CA 1.479 0.984 0 C-N-CA 125.304 1.442 . . . . 0.0 111.794 169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.04 64.97 8.38 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 C-N-CA 124.009 3.139 . . . . 0.0 111.723 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.361 1.864 . . . . 0.0 113.056 178.778 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -114.45 141.27 47.89 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.585 1.154 . . . . 0.0 110.528 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.17 159.19 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.894 1.278 . . . . 0.0 110.58 169.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -109.92 147.89 32.59 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.907 1.283 . . . . 0.0 111.167 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.49 120.65 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.359 1.063 . . . . 0.0 109.143 174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -95.05 134.25 37.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.129 0.971 . . . . 0.0 111.813 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.4 p -87.89 170.09 11.46 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.197 1.399 . . . . 0.0 112.125 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.78 -22.55 64.28 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.491 -0.755 . . . . 0.0 112.918 171.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.3 p -81.61 -1.56 46.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.632 1.573 . . . . 0.0 113.697 172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.38 10.49 84.52 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.76 1.171 . . . . 0.0 115.023 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -76.67 144.23 39.55 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 109.8 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.8 m -109.76 121.67 45.74 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.523 0.729 . . . . 0.0 110.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -96.54 140.63 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.373 1.869 . . . . 0.0 107.989 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -108.52 132.25 54.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.499 0.719 . . . . 0.0 109.826 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.99 132.36 52.04 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.962 1.305 . . . . 0.0 111.044 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -88.19 121.95 31.18 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.642 0.777 . . . . 0.0 109.874 172.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.34 161.61 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.473 1.509 . . . . 0.0 111.135 -170.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.89 154.99 43.93 Favored Pre-proline 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 109.549 169.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -56.63 -25.8 61.51 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 122.443 2.095 . . . . 0.0 114.09 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.46 -5.86 57.23 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.865 1.666 . . . . 0.0 114.965 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.54 137.24 57.74 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.203 1.365 . . . . 0.0 111.419 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.3 p -72.4 157.35 37.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.454 0.702 . . . . 0.0 111.393 171.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -61.87 -31.65 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.112 -0.992 . . . . 0.0 110.491 170.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -41.02 85.73 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.277 -0.889 . . . . 0.0 112.552 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.262 -0.899 . . . . 0.0 111.631 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.81 -42.08 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.264 -0.898 . . . . 0.0 110.97 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -60.07 -41.46 92.46 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.947 0.794 . . . . 0.0 112.239 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.44 87.15 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.719 0.808 . . . . 0.0 112.703 176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.02 -38.15 90.02 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.245 -0.909 . . . . 0.0 112.074 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.8 -40.99 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.549 0.739 . . . . 0.0 110.987 172.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -59.97 -41.02 91.06 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.24 0.927 . . . . 0.0 111.365 175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.2 -33.1 75.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -89.46 -41.57 11.99 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.6 -13.45 14.53 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -169.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.44 5.29 82.0 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.529 1.061 . . . . 0.0 115.583 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.8 mt -78.24 123.59 85.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.901 1.35 . . . . 0.0 109.844 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.63 138.66 84.76 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 123.031 2.487 . . . . 0.0 112.636 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.13 -37.11 87.14 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 123.521 2.814 . . . . 0.0 114.675 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.22 -22.17 65.72 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -85.93 -16.08 39.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.063 0.945 . . . . 0.0 113.034 175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -89.81 130.67 36.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.931 0.892 . . . . 0.0 112.604 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -119.88 118.86 31.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.313 1.445 . . . . 0.0 108.331 169.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 44' ' ' ILE . 64.7 mt -101.7 130.05 47.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.781 0.832 . . . . 0.0 109.801 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.2 mp -119.85 137.55 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 125.791 1.637 . . . . 0.0 108.35 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.81 136.54 25.62 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.552 1.141 . . . . 0.0 110.181 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.88 35.07 4.46 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.78 1.232 . . . . 0.0 113.91 -176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 11.71 85.13 Favored Glycine 0 CA--C 1.535 1.304 0 N-CA-C 116.402 1.321 . . . . 0.0 116.402 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -118.09 132.38 56.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.634 1.573 . . . . 0.0 109.995 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.84 132.94 37.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.121 0.568 . . . . 0.0 109.854 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -93.61 138.28 32.02 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.305 1.042 . . . . 0.0 111.507 -170.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -105.89 138.53 41.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.857 1.263 . . . . 0.0 113.254 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.53 -41.65 61.2 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.543 1.537 . . . . 0.0 114.537 -171.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -3.2 90.69 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.816 1.198 . . . . 0.0 115.34 -177.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -97.22 163.91 12.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.209 1.404 . . . . 0.0 110.901 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -115.13 162.33 17.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.38 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -57.28 -35.38 69.73 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.8 -24.26 62.53 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.34 -29.0 69.1 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.943 1.247 . . . . 0.0 111.882 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -95.88 5.48 51.18 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.602 1.561 . . . . 0.0 113.481 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.26 30.39 12.31 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.087 1.755 . . . . 0.0 114.166 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.95 134.35 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.188 0.995 . . . . 0.0 109.316 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -129.61 175.44 8.8 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.151 1.78 . . . . 0.0 111.374 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.75 141.8 16.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.518 0.727 . . . . 0.0 112.536 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.64 19.44 8.06 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.861 1.664 . . . . 0.0 114.961 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 m -70.22 146.25 50.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.083 -1.011 . . . . 0.0 111.589 171.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.9 m -110.93 116.91 32.03 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.922 0.889 . . . . 0.0 111.128 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -94.38 155.87 16.77 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.822 1.649 . . . . 0.0 110.039 173.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -110.86 122.98 49.21 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.112 1.365 . . . . 0.0 109.991 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.0 tp -100.28 117.24 34.09 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.527 1.131 . . . . 0.0 110.984 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.36 147.33 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.841 2.056 . . . . 0.0 109.384 173.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.4 tp -104.49 140.99 37.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.604 1.162 . . . . 0.0 111.211 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -144.01 -176.28 4.93 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 126.715 2.006 . . . . 0.0 110.573 170.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.43 34.66 4.78 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -73.03 165.98 23.97 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 121.461 -0.774 . . . . 0.0 112.554 170.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.24 -22.5 31.99 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 126.022 1.772 . . . . 0.0 116.078 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.541 0 C-N-CA 124.827 1.203 . . . . 0.0 112.743 176.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -113.82 141.58 47.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.631 1.172 . . . . 0.0 110.481 173.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -129.05 159.61 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.92 1.288 . . . . 0.0 110.506 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.91 145.35 37.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.596 1.158 . . . . 0.0 111.011 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -128.45 117.94 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.258 1.023 . . . . 0.0 109.153 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.85 132.53 36.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.949 0.9 . . . . 0.0 111.332 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -84.25 169.18 15.0 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.914 1.286 . . . . 0.0 112.035 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.85 -30.83 71.11 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.514 -0.741 . . . . 0.0 112.234 169.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.3 p -77.79 -2.17 35.09 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.584 1.554 . . . . 0.0 114.099 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.96 10.02 84.55 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.637 1.113 . . . . 0.0 115.221 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 141.73 44.0 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.752 1.221 . . . . 0.0 109.567 172.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 56.1 m -106.78 119.76 40.19 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.446 0.699 . . . . 0.0 110.59 172.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -95.09 142.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 126.422 1.889 . . . . 0.0 108.136 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.6 m -108.92 131.9 54.59 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.438 0.695 . . . . 0.0 109.832 172.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.51 133.04 52.51 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.838 1.255 . . . . 0.0 111.238 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -88.29 122.24 31.59 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.686 0.794 . . . . 0.0 109.743 171.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -148.35 159.68 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.35 1.46 . . . . 0.0 111.293 -170.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -109.81 154.84 42.34 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.682 1.193 . . . . 0.0 109.505 169.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -56.78 -25.52 61.37 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 122.411 2.074 . . . . 0.0 114.081 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.2 -6.03 57.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.813 1.645 . . . . 0.0 114.98 175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.51 137.53 57.91 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.172 1.351 . . . . 0.0 111.507 173.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -73.61 157.7 36.16 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.647 0.779 . . . . 0.0 111.483 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.12 -31.44 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.063 -1.023 . . . . 0.0 110.501 169.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.97 -41.52 87.7 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.265 -0.897 . . . . 0.0 112.554 170.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -64.02 -38.44 91.09 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.251 -0.906 . . . . 0.0 111.588 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.71 -42.57 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 O-C-N 121.283 -0.886 . . . . 0.0 111.033 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -59.97 -41.08 91.21 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.177 0.898 . . . . 0.0 112.223 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.7 -38.69 87.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.791 0.837 . . . . 0.0 112.642 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.93 -38.74 92.18 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.905 0.882 . . . . 0.0 112.113 173.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.91 -41.22 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.612 0.765 . . . . 0.0 110.976 172.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.7 -40.59 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.073 0.851 . . . . 0.0 111.472 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.58 -35.29 80.41 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -86.71 -41.69 13.97 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.87 -13.06 14.51 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 7.09 83.88 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.419 1.009 . . . . 0.0 115.401 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.42 123.56 84.38 Favored Pre-proline 0 N--CA 1.477 0.898 0 CA-C-N 118.706 1.253 . . . . 0.0 109.949 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.23 135.07 59.63 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 123.116 2.544 . . . . 0.0 112.776 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -53.86 -31.11 60.89 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 123.743 2.962 . . . . 0.0 114.791 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -67.44 -23.03 65.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.165 0.986 . . . . 0.0 113.659 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -93.99 -14.03 26.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.262 176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -87.4 128.77 35.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.364 1.066 . . . . 0.0 112.716 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -119.72 124.11 45.42 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.428 1.491 . . . . 0.0 108.4 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.65 128.88 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.815 0.846 . . . . 0.0 110.217 -178.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -116.62 145.84 21.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 125.573 1.549 . . . . 0.0 109.03 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -141.76 132.36 25.47 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.411 1.484 . . . . 0.0 109.436 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.44 36.21 6.94 Favored 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.43 -0.43 80.75 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.308 1.432 . . . . 0.0 116.168 -177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.5 136.81 42.54 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.768 1.627 . . . . 0.0 111.365 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -81.35 140.96 34.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.322 0.649 . . . . 0.0 111.382 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.4 mt -101.37 146.26 27.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.213 1.405 . . . . 0.0 112.176 -172.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.32 137.6 51.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.869 1.267 . . . . 0.0 112.946 -169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.6 -42.82 56.38 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.74 1.616 . . . . 0.0 114.833 -170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.07 -4.31 90.54 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.713 1.149 . . . . 0.0 115.332 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -95.22 163.82 13.11 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.098 1.359 . . . . 0.0 110.937 175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.85 161.99 17.49 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.546 1.538 . . . . 0.0 112.467 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.37 -34.93 69.35 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 -24.7 62.58 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.18 -29.12 69.34 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.996 1.271 . . . . 0.0 111.796 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.53 4.89 52.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.673 1.589 . . . . 0.0 113.602 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.93 31.75 13.97 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.93 1.692 . . . . 0.0 114.001 -174.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -71.75 135.36 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.261 1.024 . . . . 0.0 109.314 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.01 179.74 5.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 111.836 -169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 140.17 7.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.022 0.929 . . . . 0.0 112.781 176.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.37 20.42 5.91 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.456 1.502 . . . . 0.0 114.88 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -67.86 143.42 55.75 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.119 -0.988 . . . . 0.0 111.838 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.5 m -98.55 119.23 36.91 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.43 0.692 . . . . 0.0 110.9 174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.1 154.83 18.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.333 . . . . 0.0 108.86 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -120.33 112.28 18.83 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.493 1.117 . . . . 0.0 109.243 -172.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -93.47 116.68 29.21 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.055 1.342 . . . . 0.0 110.673 -175.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 83.1 t -106.13 139.53 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.995 2.118 . . . . 0.0 108.796 175.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.27 146.72 42.17 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.567 1.147 . . . . 0.0 111.158 174.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -80.21 170.21 16.73 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.866 1.266 . . . . 0.0 111.499 169.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.03 161.77 6.39 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.305 1.042 . . . . 0.0 112.438 174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 62.41 21.99 12.94 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.993 1.717 . . . . 0.0 114.276 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.82 -27.32 24.4 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.716 1.15 . . . . 0.0 114.676 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.25 0 C-N-CA 125.784 1.659 . . . . 0.0 112.856 179.579 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 mmm . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.7 t -141.91 137.03 31.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.89 1.276 . . . . 0.0 111.246 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.1 -40.8 9.86 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.596 1.158 . . . . 0.0 111.722 175.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.99 -39.99 72.14 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -169.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.07 -49.77 59.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.47 -42.48 96.32 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.867 1.267 . . . . 0.0 112.382 177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -59.24 -53.29 59.96 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.568 0.747 . . . . 0.0 112.171 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.9 -35.14 68.64 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.706 -0.621 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -47.52 72.22 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.322 1.049 . . . . 0.0 110.176 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.79 -47.19 87.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.816 0.846 . . . . 0.0 110.817 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.75 -47.63 81.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.368 1.067 . . . . 0.0 111.978 173.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -45.36 94.39 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.402 1.081 . . . . 0.0 112.783 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.0 mtm -61.76 -41.55 97.84 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.53 -0.731 . . . . 0.0 111.964 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -59.79 -39.6 85.5 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.973 0.909 . . . . 0.0 112.539 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.8 -39.35 66.75 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.759 0.824 . . . . 0.0 112.194 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -61.62 -46.53 89.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.671 0.669 . . . . 0.0 111.678 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.96 -43.89 94.78 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.033 0.379 . . . . 0.0 111.421 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.16 87.37 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.144 -0.973 . . . . 0.0 112.86 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -65.69 -49.06 69.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.348 1.059 . . . . 0.0 110.947 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.19 -33.82 75.13 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.68 -46.14 95.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.507 0.594 . . . . 0.0 111.231 173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -61.4 -42.01 98.05 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.789 -0.569 . . . . 0.0 111.62 175.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -61.14 -47.39 86.45 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.989 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -70.49 -32.84 70.51 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.918 0.781 . . . . 0.0 112.43 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -62.65 -45.38 93.07 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.681 1.128 . . . . 0.0 112.934 172.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.02 -42.96 99.93 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.1 0.409 . . . . 0.0 111.802 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -64.7 -42.23 95.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.414 0.686 . . . . 0.0 112.826 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.24 -41.78 80.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.228 0.922 . . . . 0.0 112.38 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -44.71 86.9 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.469 -0.769 . . . . 0.0 112.097 175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.11 -39.32 86.65 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.725 -0.609 . . . . 0.0 111.802 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.444 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.7 tm? -55.68 -50.95 68.88 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.979 0.911 . . . . 0.0 111.294 170.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.17 -46.37 88.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 122.895 0.478 . . . . 0.0 110.512 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -54.63 -52.26 62.8 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.358 0.663 . . . . 0.0 111.995 171.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -58.15 -37.75 75.27 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.029 0.831 . . . . 0.0 112.144 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.21 91.29 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.582 0.753 . . . . 0.0 110.86 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.79 -49.92 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.898 -0.501 . . . . 0.0 110.653 172.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.47 87.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.755 0.822 . . . . 0.0 112.459 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -76.67 -27.62 55.66 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.447 1.499 . . . . 0.0 112.547 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -66.19 -26.4 67.38 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.84 0.856 . . . . 0.0 112.061 170.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.88 -42.61 14.87 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.504 1.122 . . . . 0.0 111.2 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -77.6 -34.66 53.38 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -172.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.6 m -133.0 53.74 2.0 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.936 1.295 . . . . 0.0 112.11 -169.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.1 p -77.53 -13.53 59.89 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -77.28 151.7 81.22 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 124.18 0.992 . . . . 0.0 112.044 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -69.46 163.04 39.55 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.679 2.919 . . . . 0.0 112.799 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.263 1.825 . . . . 0.0 111.928 173.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.58 141.39 47.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.678 1.191 . . . . 0.0 110.522 174.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.67 159.94 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 169.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.63 145.98 38.24 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.982 1.313 . . . . 0.0 111.28 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.94 123.05 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.311 1.045 . . . . 0.0 109.132 174.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -97.39 134.76 40.22 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.273 1.029 . . . . 0.0 111.911 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.4 p -87.23 169.34 12.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.197 1.399 . . . . 0.0 112.127 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -66.77 -23.54 66.09 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.449 -0.782 . . . . 0.0 112.949 170.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.53 -1.52 46.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.426 1.49 . . . . 0.0 113.776 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.29 10.53 84.57 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.693 1.14 . . . . 0.0 115.08 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -76.68 143.16 40.24 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.81 1.244 . . . . 0.0 109.816 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -108.24 124.22 49.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.656 0.783 . . . . 0.0 110.516 171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.96 138.95 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 126.453 1.901 . . . . 0.0 107.95 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -106.74 131.79 53.46 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.36 0.664 . . . . 0.0 109.84 172.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.0 131.73 52.17 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.9 1.28 . . . . 0.0 110.959 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.64 122.06 30.84 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.65 0.78 . . . . 0.0 109.773 172.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.31 161.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.44 1.496 . . . . 0.0 111.05 -170.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.59 154.97 43.69 Favored Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.836 1.254 . . . . 0.0 109.587 169.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -56.78 -25.65 62.14 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.48 2.12 . . . . 0.0 114.078 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.0 p -80.5 -5.86 57.29 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.787 1.635 . . . . 0.0 114.959 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.5 137.4 57.84 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.182 1.355 . . . . 0.0 111.516 173.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -72.9 157.47 37.38 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.535 0.734 . . . . 0.0 111.424 172.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.62 -31.81 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 121.158 -0.964 . . . . 0.0 110.446 170.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.98 -41.22 87.04 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.166 -0.958 . . . . 0.0 112.576 171.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.02 -38.73 92.14 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.151 -0.968 . . . . 0.0 111.591 172.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.81 -42.04 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 O-C-N 121.284 -0.885 . . . . 0.0 111.009 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -59.98 -41.57 92.28 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.117 0.871 . . . . 0.0 112.267 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.28 87.09 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.756 0.823 . . . . 0.0 112.645 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.12 -37.95 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.249 -0.907 . . . . 0.0 112.165 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.79 -40.69 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.554 0.742 . . . . 0.0 111.068 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -59.62 -41.88 91.39 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.219 0.918 . . . . 0.0 111.354 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -64.91 -32.98 74.95 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -89.69 -41.96 11.62 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -108.82 -13.1 14.83 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -170.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.39 4.69 80.45 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.489 1.042 . . . . 0.0 115.456 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.1 mt -77.83 122.22 85.3 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.898 1.349 . . . . 0.0 109.443 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.89 140.62 93.91 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.941 2.427 . . . . 0.0 112.53 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -54.49 -36.02 87.13 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.443 2.762 . . . . 0.0 114.274 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -64.96 -21.55 66.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.112 0.965 . . . . 0.0 113.484 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -94.81 -1.96 51.79 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.19 1.396 . . . . 0.0 113.33 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -103.62 133.06 49.28 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.438 1.095 . . . . 0.0 112.675 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.68 122.48 39.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.582 1.553 . . . . 0.0 108.655 169.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -106.08 131.97 52.72 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.927 0.891 . . . . 0.0 110.218 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.01 140.0 48.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 125.965 1.706 . . . . 0.0 108.332 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -147.02 138.84 24.35 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.828 1.251 . . . . 0.0 110.693 173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 30.97 2.66 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 125.125 1.37 . . . . 0.0 114.595 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.64 65.76 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.609 1.099 . . . . 0.0 115.703 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -130.75 137.97 49.74 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.235 1.814 . . . . 0.0 110.12 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -84.36 137.12 33.59 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.258 0.623 . . . . 0.0 110.478 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -97.29 141.32 30.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.683 1.193 . . . . 0.0 111.726 -169.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -110.02 138.42 46.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.996 1.319 . . . . 0.0 113.141 -169.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.53 -41.83 61.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.602 1.561 . . . . 0.0 114.643 -171.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.12 -3.42 90.67 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.737 1.16 . . . . 0.0 115.299 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -97.05 163.32 12.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.232 1.413 . . . . 0.0 110.916 175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -114.23 162.39 16.62 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.616 1.567 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.1 mt -57.23 -35.63 69.92 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.566 -0.709 . . . . 0.0 112.824 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.71 -24.26 62.61 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 175.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.46 -29.25 69.33 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.968 1.258 . . . . 0.0 111.837 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -95.42 5.2 52.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.542 1.537 . . . . 0.0 113.482 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 54.06 31.01 12.88 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.017 1.727 . . . . 0.0 114.073 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.88 134.05 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.178 0.991 . . . . 0.0 109.233 176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -128.58 175.71 8.34 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.091 1.756 . . . . 0.0 111.377 -171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.76 142.07 15.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.56 0.744 . . . . 0.0 112.455 176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.76 20.44 9.23 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.908 1.683 . . . . 0.0 115.072 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 61.7 m -70.26 147.25 49.95 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.081 -1.012 . . . . 0.0 111.827 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.0 m -111.26 115.3 29.1 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.232 1.013 . . . . 0.0 111.131 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.4 157.79 15.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.967 1.707 . . . . 0.0 110.5 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -114.41 124.71 52.62 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.704 1.602 . . . . 0.0 110.073 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.9 tp -102.61 121.16 41.85 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.654 1.182 . . . . 0.0 111.056 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -108.34 143.41 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 126.309 1.844 . . . . 0.0 109.004 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.9 46.96 1.34 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.221 1.009 . . . . 0.0 112.824 -174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -118.25 94.05 4.35 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.127 1.771 . . . . 0.0 111.902 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -162.15 -22.96 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 169.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.5 mtm-85 54.89 50.96 14.48 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.28 1.432 . . . . 0.0 112.8 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.53 -156.72 50.04 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.443 1.02 . . . . 0.0 113.525 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 C-N-CA 124.272 0.939 . . . . 0.0 111.788 178.548 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -113.31 141.05 47.47 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.578 1.151 . . . . 0.0 110.603 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.88 159.22 41.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.971 1.308 . . . . 0.0 110.5 169.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -108.82 147.5 31.99 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.685 1.194 . . . . 0.0 111.203 175.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 24.1 t -131.11 118.76 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.259 1.023 . . . . 0.0 109.181 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -92.85 132.7 36.77 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.917 0.887 . . . . 0.0 111.627 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.3 p -86.16 169.14 13.36 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.916 1.286 . . . . 0.0 112.118 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.56 -25.45 67.43 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.344 -0.847 . . . . 0.0 112.707 169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -79.12 -1.57 36.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.12 1.368 . . . . 0.0 113.841 173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.39 10.17 84.93 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.654 1.121 . . . . 0.0 115.01 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.7 141.71 40.79 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.922 1.289 . . . . 0.0 109.729 173.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.6 m -107.08 118.9 37.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.493 0.717 . . . . 0.0 110.251 172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -93.95 142.14 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.362 1.865 . . . . 0.0 108.008 173.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.7 m -109.19 131.9 54.63 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.425 0.69 . . . . 0.0 109.833 171.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -125.63 132.51 52.47 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.884 1.274 . . . . 0.0 111.152 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.74 122.34 31.28 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.633 0.773 . . . . 0.0 109.783 171.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.8 m -148.37 159.97 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.503 1.521 . . . . 0.0 111.169 -170.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.09 154.86 42.55 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.606 1.162 . . . . 0.0 109.548 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.79 -25.61 62.03 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 122.509 2.139 . . . . 0.0 114.007 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.19 -6.04 57.11 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.804 1.642 . . . . 0.0 114.988 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.291 1.405 . . . . 0.0 111.519 173.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.34 157.48 36.9 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.654 0.782 . . . . 0.0 111.5 172.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.97 -31.57 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.139 -0.976 . . . . 0.0 110.378 170.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.9 -41.54 87.43 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.296 -0.877 . . . . 0.0 112.543 170.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.91 -38.65 91.85 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.269 -0.894 . . . . 0.0 111.646 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.94 -42.46 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 O-C-N 121.202 -0.936 . . . . 0.0 111.092 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.1 -40.76 90.8 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.115 0.87 . . . . 0.0 112.179 173.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.66 86.57 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.858 0.863 . . . . 0.0 112.712 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -63.66 -38.88 92.78 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.907 0.883 . . . . 0.0 112.055 172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -67.57 -41.4 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.727 0.811 . . . . 0.0 111.037 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.95 -40.35 92.97 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.41 -0.806 . . . . 0.0 111.563 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.7 -35.41 80.67 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.74 -41.49 14.1 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -111.33 -12.59 14.04 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -169.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.8 6.7 82.5 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.349 0.976 . . . . 0.0 115.512 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 30.9 mt -76.86 123.54 87.47 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 118.883 1.341 . . . . 0.0 109.899 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.85 134.02 51.19 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 122.852 2.368 . . . . 0.0 112.511 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -53.17 -32.02 57.81 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 123.833 3.022 . . . . 0.0 114.896 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.68 -22.32 66.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.272 1.029 . . . . 0.0 113.743 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.59 -13.14 24.64 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.937 1.295 . . . . 0.0 113.235 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -86.59 128.62 35.0 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.608 1.163 . . . . 0.0 112.232 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 62.2 mtt-85 -119.83 115.62 24.22 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.545 1.538 . . . . 0.0 108.775 169.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.0 mt -99.79 131.61 45.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.768 0.827 . . . . 0.0 110.198 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.32 143.24 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.612 1.565 . . . . 0.0 109.23 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -141.35 132.51 26.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.025 1.33 . . . . 0.0 109.411 169.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 30.4 3.49 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 115.11 1.522 . . . . 0.0 115.11 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.93 0.17 85.86 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.159 1.361 . . . . 0.0 115.473 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -104.71 133.48 49.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.721 1.608 . . . . 0.0 110.912 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -79.34 137.31 37.28 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.354 0.662 . . . . 0.0 110.386 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.47 144.22 27.41 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.621 1.169 . . . . 0.0 112.189 -170.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 137.24 49.74 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.001 1.321 . . . . 0.0 112.999 -169.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.84 -42.5 58.61 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.661 1.584 . . . . 0.0 114.794 -171.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -4.62 90.5 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.712 1.149 . . . . 0.0 115.326 -176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -94.67 163.8 13.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.061 1.344 . . . . 0.0 110.879 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.97 162.35 17.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.57 1.548 . . . . 0.0 112.497 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -57.69 -34.44 69.43 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.465 -0.772 . . . . 0.0 112.865 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 100.0 p -71.47 -24.41 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 175.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.37 -29.93 70.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.907 1.231 . . . . 0.0 111.795 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -94.21 5.12 52.73 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.444 1.498 . . . . 0.0 113.467 174.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.12 34.91 18.37 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.793 1.637 . . . . 0.0 113.866 -174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.3 mt -73.59 134.42 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.059 0.944 . . . . 0.0 109.52 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -122.69 174.53 7.05 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.02 1.728 . . . . 0.0 111.688 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -55.82 143.05 32.63 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 59.01 18.86 6.65 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.113 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.8 m -67.9 144.24 55.34 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.963 -1.085 . . . . 0.0 111.517 171.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -104.03 119.38 38.82 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.744 0.817 . . . . 0.0 110.74 174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.68 157.13 16.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.552 1.541 . . . . 0.0 109.038 169.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -120.76 119.58 33.15 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.198 0.999 . . . . 0.0 109.521 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 64.7 tp -100.34 108.94 21.11 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.111 1.364 . . . . 0.0 110.751 -174.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.9 t -90.82 138.74 18.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.919 1.688 . . . . 0.0 107.931 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -111.82 130.93 55.65 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.926 0.89 . . . . 0.0 109.29 171.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -143.79 131.1 20.85 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 111.388 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.56 -44.51 18.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.411 0.684 . . . . 0.0 112.632 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -154.22 -46.52 0.09 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.561 1.945 . . . . 0.0 112.483 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.0 1.85 66.99 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 125.091 1.329 . . . . 0.0 115.117 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.496 1.522 . . . . 0.0 113.307 174.717 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.9 ptm . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -128.41 139.68 52.24 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.997 1.319 . . . . 0.0 110.915 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -94.05 -55.71 3.11 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 126.386 1.874 . . . . 0.0 110.068 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.19 -41.02 99.12 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.001 0.92 . . . . 0.0 113.233 -169.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.58 -51.86 38.0 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.411 0.284 . . . . 0.0 110.396 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.85 -42.28 97.49 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.909 0.884 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.78 -54.7 31.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.01 0.745 . . . . 0.0 113.01 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.91 -41.07 67.24 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.146 0.578 . . . . 0.0 111.295 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' C' ' 90' ' ' LYS . 25.6 mt -63.43 -49.11 75.03 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.526 1.131 . . . . 0.0 111.49 176.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.8 -42.74 72.19 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.186 -0.946 . . . . 0.0 111.023 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.83 -36.2 81.79 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.147 0.979 . . . . 0.0 112.961 174.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . 0.4 ' HE2' HD23 ' C' ' 87' ' ' LEU . 0.0 OUTLIER -68.49 -54.07 19.24 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.078 -1.014 . . . . 0.0 111.619 178.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 12.8 ptp -63.24 -31.15 72.23 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -56.3 -51.82 66.78 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 122.824 0.45 . . . . 0.0 112.035 169.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.82 -41.05 92.29 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -57.78 -52.17 66.58 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.424 0.556 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.66 -42.08 96.29 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.819 0.848 . . . . 0.0 111.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.71 99.03 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.406 -0.809 . . . . 0.0 112.437 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.18 -50.66 67.23 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.848 0.859 . . . . 0.0 111.314 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.47 -36.95 84.03 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 118.708 -0.663 . . . . 0.0 112.244 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.93 -47.96 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.294 0.952 . . . . 0.0 110.366 174.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -56.63 -40.54 75.58 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.372 0.533 . . . . 0.0 111.688 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -61.44 -42.28 98.51 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.09 -46.67 83.21 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 120.13 1.332 . . . . 0.0 111.565 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -58.01 -43.56 86.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.784 0.434 . . . . 0.0 112.147 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.2 -41.7 89.8 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.63 -0.669 . . . . 0.0 112.6 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.16 -38.9 92.74 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.555 -0.716 . . . . 0.0 112.46 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.28 -43.01 78.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.027 0.931 . . . . 0.0 112.312 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -63.33 -41.81 98.92 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.851 -0.531 . . . . 0.0 112.339 174.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.75 -42.82 77.01 Favored 'General case' 0 C--N 1.342 0.246 0 O-C-N 121.706 -0.621 . . . . 0.0 109.564 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.35 -51.33 62.82 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.207 0.912 . . . . 0.0 111.575 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -56.02 -49.14 74.52 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.275 0.489 . . . . 0.0 110.593 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -54.49 -52.09 63.01 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.863 0.756 . . . . 0.0 112.172 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -56.8 -40.24 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.633 1.173 . . . . 0.0 111.876 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.41 -46.69 78.98 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.305 0.642 . . . . 0.0 111.309 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.49 -50.52 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.869 -0.586 . . . . 0.0 109.715 173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.04 74.43 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.863 0.756 . . . . 0.0 111.821 -176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.32 -24.12 67.19 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.889 -1.132 . . . . 0.0 112.732 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -62.49 -34.22 76.43 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.34 -23.39 17.83 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 171.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -84.48 -39.35 19.01 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 33.1 p -144.32 45.25 1.42 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.624 1.17 . . . . 0.0 113.744 -169.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 24.2 p -65.41 -25.14 67.42 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 172.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -74.67 149.52 86.03 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.485 1.514 . . . . 0.0 112.818 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.35 163.63 38.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.347 2.698 . . . . 0.0 112.976 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.255 1.371 0 C-N-CA 126.232 1.813 . . . . 0.0 111.542 179.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.26 141.33 47.71 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.634 1.174 . . . . 0.0 110.625 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.59 159.68 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.922 1.289 . . . . 0.0 110.619 169.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -111.19 147.51 34.8 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.977 1.311 . . . . 0.0 111.265 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.4 t -132.34 122.86 48.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.386 1.075 . . . . 0.0 109.122 175.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -98.64 133.16 43.37 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.373 1.069 . . . . 0.0 111.855 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.3 p -86.23 169.48 12.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.109 1.363 . . . . 0.0 112.302 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.6 mt -66.51 -23.51 66.26 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.484 -0.76 . . . . 0.0 112.966 169.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.48 -1.59 46.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.492 1.517 . . . . 0.0 113.758 173.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.27 10.44 84.7 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.703 1.144 . . . . 0.0 115.114 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.84 142.67 40.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.917 1.287 . . . . 0.0 109.812 173.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -106.98 124.88 50.26 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.568 0.747 . . . . 0.0 110.596 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mt -100.85 140.0 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.541 1.936 . . . . 0.0 107.857 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.6 m -107.72 132.09 53.73 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.484 0.714 . . . . 0.0 109.73 172.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.99 131.91 52.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.921 1.289 . . . . 0.0 110.978 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -87.74 122.39 31.35 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.549 0.74 . . . . 0.0 109.745 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -148.39 161.34 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.464 1.505 . . . . 0.0 111.108 -170.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.55 154.89 43.69 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 124.804 1.242 . . . . 0.0 109.54 169.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -56.59 -25.78 61.0 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.456 2.104 . . . . 0.0 114.081 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.53 -5.8 57.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.785 1.634 . . . . 0.0 115.008 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.38 137.41 57.88 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.209 1.368 . . . . 0.0 111.416 173.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -73.0 157.27 37.74 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.642 0.777 . . . . 0.0 111.339 172.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.95 -31.36 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 O-C-N 121.138 -0.976 . . . . 0.0 110.552 170.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.23 -41.14 87.97 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.289 -0.882 . . . . 0.0 112.421 171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -64.05 -38.59 91.61 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.274 -0.891 . . . . 0.0 111.619 172.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.17 -41.9 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 O-C-N 121.357 -0.84 . . . . 0.0 111.113 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -59.97 -41.47 92.03 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.129 0.877 . . . . 0.0 112.173 172.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.48 87.5 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.763 0.825 . . . . 0.0 112.637 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.93 -38.73 92.16 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.293 -0.88 . . . . 0.0 112.116 173.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -68.35 -40.64 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.469 0.708 . . . . 0.0 111.075 172.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.47 -41.05 93.38 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.043 0.838 . . . . 0.0 111.472 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.46 -34.31 77.98 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -87.7 -41.96 12.98 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -109.59 -12.92 14.62 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.23 5.52 81.46 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.406 1.003 . . . . 0.0 115.455 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.0 mt -77.43 122.05 85.38 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 118.884 1.342 . . . . 0.0 109.661 -176.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.36 139.21 81.4 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.879 2.386 . . . . 0.0 112.546 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -54.23 -33.42 75.13 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.643 2.895 . . . . 0.0 114.725 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -66.24 -19.56 65.86 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.331 1.052 . . . . 0.0 113.663 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -96.96 -8.42 30.66 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.136 1.374 . . . . 0.0 113.114 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -96.72 131.53 43.32 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.449 1.099 . . . . 0.0 112.768 -177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -123.44 120.58 33.38 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.478 1.511 . . . . 0.0 108.684 169.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -103.2 131.63 50.09 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.993 0.917 . . . . 0.0 109.884 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -121.08 136.95 56.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 125.71 1.604 . . . . 0.0 108.492 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -142.25 134.08 27.07 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.476 1.111 . . . . 0.0 110.137 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.62 36.87 5.89 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.755 1.222 . . . . 0.0 113.973 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.12 9.7 86.77 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 116.65 1.42 . . . . 0.0 116.65 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -114.44 129.11 56.63 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.353 1.461 . . . . 0.0 110.031 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.18 130.0 36.72 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.131 0.573 . . . . 0.0 109.515 172.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.9 mt -91.25 139.38 30.79 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.261 1.024 . . . . 0.0 111.906 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.97 137.9 44.15 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.967 1.307 . . . . 0.0 113.136 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.63 -41.44 61.29 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.521 1.528 . . . . 0.0 114.657 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -3.49 90.65 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.751 1.167 . . . . 0.0 115.332 -177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -96.84 163.92 12.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.284 1.434 . . . . 0.0 111.042 175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -115.05 162.4 17.05 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.651 1.58 . . . . 0.0 112.402 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.27 -35.5 69.85 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.7 p -70.64 -24.28 62.68 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.4 -29.16 69.26 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.993 1.27 . . . . 0.0 111.934 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -95.45 5.28 51.99 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.545 1.538 . . . . 0.0 113.482 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 54.02 31.48 13.69 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.014 1.726 . . . . 0.0 114.028 -173.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.43 134.11 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.191 0.996 . . . . 0.0 109.261 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -128.51 175.58 8.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.12 1.768 . . . . 0.0 111.433 -170.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.93 141.97 16.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.501 0.721 . . . . 0.0 112.473 176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 59.48 19.89 8.3 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.866 1.666 . . . . 0.0 115.052 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -70.29 147.46 49.67 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.043 -1.036 . . . . 0.0 111.616 171.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 m -113.05 119.15 36.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 111.122 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.52 152.47 18.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.8 1.64 . . . . 0.0 110.227 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.59 123.35 47.4 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.184 1.394 . . . . 0.0 109.909 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.4 tp -101.68 117.45 34.91 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.652 1.181 . . . . 0.0 110.855 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -101.78 138.26 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 126.351 1.861 . . . . 0.0 109.157 171.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.27 147.69 27.96 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.891 1.276 . . . . 0.0 111.582 172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 115.713 1.745 . . . . 0.0 115.713 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.99 46.84 25.96 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 125.515 1.526 . . . . 0.0 114.577 170.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.9 mtm105 -99.28 -42.17 7.13 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.76 -131.72 40.42 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 123.652 0.644 . . . . 0.0 112.774 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.692 0 C-N-CA 125.03 1.3 . . . . 0.0 114.713 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -113.65 140.86 47.86 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.538 1.135 . . . . 0.0 110.622 173.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.6 pt -128.69 159.01 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.788 1.235 . . . . 0.0 110.521 169.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -109.06 146.87 33.27 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.73 1.212 . . . . 0.0 111.097 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.72 118.06 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.424 1.089 . . . . 0.0 109.062 174.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -91.17 133.12 35.63 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.913 0.885 . . . . 0.0 111.482 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.6 p -86.29 169.49 12.94 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.96 1.304 . . . . 0.0 112.152 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.1 mt -65.06 -25.59 67.88 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.317 -0.864 . . . . 0.0 112.631 169.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.77 -1.75 40.1 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.167 1.387 . . . . 0.0 114.0 173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.09 85.2 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.609 1.1 . . . . 0.0 115.054 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.56 143.17 40.48 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.93 1.292 . . . . 0.0 109.683 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.7 m -107.45 118.85 37.8 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.398 0.679 . . . . 0.0 110.339 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.2 mt -93.73 141.04 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 126.106 1.762 . . . . 0.0 108.068 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.44 131.89 54.33 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.512 0.725 . . . . 0.0 109.75 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -125.74 132.18 52.39 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.926 1.29 . . . . 0.0 111.094 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.57 122.12 30.87 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.546 0.739 . . . . 0.0 109.771 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -148.27 160.57 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.543 1.537 . . . . 0.0 111.12 -170.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.54 154.91 42.87 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.651 1.18 . . . . 0.0 109.485 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -56.75 -25.7 62.06 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 122.371 2.047 . . . . 0.0 114.026 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.26 -5.97 57.1 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.78 1.632 . . . . 0.0 114.942 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.55 137.47 57.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.22 1.373 . . . . 0.0 111.473 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.6 p -73.12 157.41 37.32 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.706 0.802 . . . . 0.0 111.431 172.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -61.78 -31.64 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.144 -0.972 . . . . 0.0 110.498 169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.03 -41.35 87.58 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.21 -0.931 . . . . 0.0 112.544 170.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -64.15 -38.35 90.74 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.207 -0.933 . . . . 0.0 111.603 172.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.88 -42.26 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.302 -0.874 . . . . 0.0 111.036 175.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.02 -40.92 90.96 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.135 0.88 . . . . 0.0 112.306 172.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.13 85.65 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.852 0.861 . . . . 0.0 112.73 177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.16 -38.81 92.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.214 -0.929 . . . . 0.0 112.043 172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.7 mt -68.06 -40.53 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.574 0.75 . . . . 0.0 111.064 172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -60.58 -40.85 93.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.076 0.853 . . . . 0.0 111.493 174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.68 -35.4 80.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -86.33 -41.63 14.37 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.46 -12.45 14.71 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -170.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.99 84.26 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 124.487 1.041 . . . . 0.0 115.324 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.4 mt -80.36 123.58 82.93 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.735 1.268 . . . . 0.0 110.175 -174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -59.64 136.85 73.61 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.021 2.481 . . . . 0.0 112.494 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -53.68 -33.72 70.82 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.767 2.978 . . . . 0.0 114.595 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.43 -20.79 66.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.338 1.055 . . . . 0.0 113.782 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -96.68 -5.49 38.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.196 1.399 . . . . 0.0 113.135 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -97.86 130.12 44.78 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.588 1.155 . . . . 0.0 112.17 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -121.32 119.9 33.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.921 1.288 . . . . 0.0 108.766 169.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.4 mt -102.56 128.95 49.0 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.442 0.697 . . . . 0.0 110.144 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -117.28 141.99 33.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.81 1.644 . . . . 0.0 108.78 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -142.03 133.35 26.44 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.871 1.268 . . . . 0.0 109.992 169.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.72 37.6 7.2 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.463 1.105 . . . . 0.0 113.734 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.77 -1.63 61.86 Favored Glycine 0 CA--C 1.542 1.733 0 C-N-CA 124.86 1.219 . . . . 0.0 116.076 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -99.43 136.39 39.43 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.587 1.555 . . . . 0.0 111.145 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -80.82 138.77 36.24 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.396 0.678 . . . . 0.0 111.013 175.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -99.76 145.74 27.34 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.071 1.349 . . . . 0.0 111.995 -172.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -113.45 138.05 50.66 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.944 1.298 . . . . 0.0 113.105 -169.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.83 -42.73 58.69 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.738 1.615 . . . . 0.0 114.794 -171.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.67 90.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.686 1.136 . . . . 0.0 115.337 -176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.13 163.78 12.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.161 1.384 . . . . 0.0 110.9 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -114.72 162.18 17.17 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.561 1.544 . . . . 0.0 112.465 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.52 -34.68 69.36 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -71.23 -24.53 62.21 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.27 -28.92 69.08 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.921 1.237 . . . . 0.0 111.79 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -95.8 5.8 50.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.623 1.569 . . . . 0.0 113.536 174.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 53.85 32.72 15.59 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.072 1.749 . . . . 0.0 113.933 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.24 135.13 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.145 0.978 . . . . 0.0 109.541 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -126.87 175.28 8.16 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.154 1.782 . . . . 0.0 111.642 -171.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -54.07 142.83 23.98 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.648 -0.657 . . . . 0.0 112.758 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 59.31 19.74 7.92 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.891 1.676 . . . . 0.0 115.054 -178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.7 m -68.7 145.01 54.23 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.129 -0.982 . . . . 0.0 111.51 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.3 m -107.9 114.89 29.14 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.969 0.907 . . . . 0.0 110.893 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.1 159.7 15.18 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.832 1.653 . . . . 0.0 109.837 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -120.62 119.67 33.54 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.042 1.337 . . . . 0.0 109.956 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.2 tp -96.0 107.68 19.99 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.969 1.308 . . . . 0.0 110.656 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 42.8 t -85.81 139.9 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 126.015 1.726 . . . . 0.0 109.356 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.3 mt -133.51 -179.46 5.53 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.917 2.087 . . . . 0.0 110.255 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmp_? 64.36 175.72 0.19 Allowed 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 126.548 1.939 . . . . 0.0 113.222 -174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.59 150.08 47.82 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.888 1.675 . . . . 0.0 111.037 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -81.07 -18.87 45.14 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -170.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.25 -31.94 1.05 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.863 1.221 . . . . 0.0 114.676 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.273 0 C-N-CA 125.629 1.585 . . . . 0.0 113.032 176.041 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 119.955 -0.069 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -144.78 132.56 21.17 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.356 1.063 . . . . 0.0 111.082 172.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -94.44 -48.62 6.05 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.424 1.49 . . . . 0.0 111.278 178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.4 -38.07 80.94 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 -169.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -69.37 -47.7 63.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.529 0.732 . . . . 0.0 110.173 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -64.52 -41.51 96.34 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.285 1.034 . . . . 0.0 112.343 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -53.06 -62.93 1.34 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.93 0.892 . . . . 0.0 111.416 170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.6 55.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.433 1.093 . . . . 0.0 112.259 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 mt -64.17 -44.01 93.38 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.845 1.258 . . . . 0.0 112.122 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.94 91.93 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.071 0.396 . . . . 0.0 110.425 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.12 -41.95 94.37 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.186 -0.321 . . . . 0.0 111.239 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -45.31 89.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.659 1.584 . . . . 0.0 112.408 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.2 mtm -59.99 -41.88 92.99 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.442 -0.786 . . . . 0.0 112.096 171.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.74 -36.3 80.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 0.0 113.056 175.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.22 -42.58 65.58 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.886 0.875 . . . . 0.0 111.568 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.97 -48.36 82.0 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 118.813 -0.613 . . . . 0.0 111.213 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -54.75 -48.41 72.62 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.72 0.808 . . . . 0.0 111.516 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.6 87.9 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.327 -0.858 . . . . 0.0 112.543 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 32.1 mtp-105 -66.45 -48.78 68.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.05 0.94 . . . . 0.0 111.721 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.46 -33.13 73.64 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.51 -47.17 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 118.52 0.6 . . . . 0.0 110.54 172.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -60.13 -39.86 87.74 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.678 -0.639 . . . . 0.0 112.045 174.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 59.8 m -61.8 -46.9 87.54 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.795 0.725 . . . . 0.0 112.381 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -71.86 -32.65 67.69 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.164 0.893 . . . . 0.0 112.94 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -65.96 -45.2 82.6 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.769 0.828 . . . . 0.0 112.613 173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.06 -40.02 95.35 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.699 -0.626 . . . . 0.0 111.516 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -67.58 -35.37 78.87 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 118.457 -0.782 . . . . 0.0 112.724 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -61.99 -49.77 74.73 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.114 1.325 . . . . 0.0 111.858 170.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.04 -43.6 98.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 117.935 0.334 . . . . 0.0 111.857 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -68.69 -36.57 78.67 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.71 -52.2 66.49 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.239 -0.913 . . . . 0.0 111.266 171.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.17 -47.58 82.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.013 0.525 . . . . 0.0 110.679 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -52.38 62.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.806 0.842 . . . . 0.0 111.161 174.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -57.06 -45.63 83.1 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.91 0.884 . . . . 0.0 112.233 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.92 79.94 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.487 0.715 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.5 -51.84 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 121.885 -0.51 . . . . 0.0 110.86 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.22 81.21 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.996 0.918 . . . . 0.0 112.106 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.92 -30.3 50.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 112.253 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 t -63.08 -26.21 68.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.086 0.954 . . . . 0.0 111.932 169.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.79 -43.45 11.85 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.169 1.388 . . . . 0.0 111.622 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -73.1 -46.5 50.97 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.679 1.192 . . . . 0.0 113.707 -171.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 29.1 m -162.09 80.31 0.54 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.083 0.953 . . . . 0.0 111.405 -170.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 p -79.58 -18.4 51.77 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -77.1 -54.5 1.53 Allowed Pre-proline 0 N--CA 1.48 1.028 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.503 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.17 168.16 25.33 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 122.739 2.293 . . . . 0.0 112.98 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 75.1 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 126.518 1.927 . . . . 0.0 113.674 178.146 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -113.3 140.25 48.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 173.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 pt -128.4 160.04 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.009 1.323 . . . . 0.0 110.285 169.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -110.69 151.86 27.21 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.511 1.124 . . . . 0.0 111.288 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.5 t -134.52 123.17 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.238 1.015 . . . . 0.0 109.192 173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -98.02 133.36 42.6 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.393 1.077 . . . . 0.0 111.713 176.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.4 p -86.37 169.17 13.17 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.044 1.337 . . . . 0.0 112.312 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -65.82 -24.19 66.85 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.422 -0.799 . . . . 0.0 112.82 169.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -81.5 -1.77 47.27 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.56 1.544 . . . . 0.0 113.732 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.66 10.22 84.58 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.634 1.111 . . . . 0.0 115.115 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -76.24 142.88 41.28 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.879 1.272 . . . . 0.0 109.798 172.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.7 m -108.3 124.68 50.69 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.532 0.733 . . . . 0.0 110.604 171.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -100.97 142.03 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.739 2.015 . . . . 0.0 107.972 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.5 m -109.45 132.7 53.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.586 0.754 . . . . 0.0 109.771 171.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -126.87 132.1 51.02 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.105 1.362 . . . . 0.0 111.115 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.44 123.15 32.06 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.521 0.728 . . . . 0.0 109.828 171.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.54 161.35 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.537 1.535 . . . . 0.0 111.121 -170.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.19 154.76 43.45 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.721 1.208 . . . . 0.0 109.595 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -56.81 -25.67 62.54 Favored 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.477 2.118 . . . . 0.0 114.131 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.32 -6.08 57.38 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.105 1.762 . . . . 0.0 114.877 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.32 57.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.164 1.347 . . . . 0.0 111.507 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -72.85 157.15 38.02 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.569 0.747 . . . . 0.0 111.433 172.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.63 -31.75 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 O-C-N 121.099 -1.001 . . . . 0.0 110.505 170.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.09 -41.23 87.58 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.243 -0.911 . . . . 0.0 112.602 171.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 -63.91 -38.53 91.41 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.231 -0.918 . . . . 0.0 111.623 172.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.44 -41.64 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 O-C-N 121.294 -0.879 . . . . 0.0 111.058 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -59.9 -41.43 91.61 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.159 0.89 . . . . 0.0 112.196 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.42 87.2 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.728 0.811 . . . . 0.0 112.672 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.78 -38.8 92.45 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.235 -0.916 . . . . 0.0 112.134 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.29 -40.78 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.499 0.72 . . . . 0.0 111.055 172.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.61 -40.75 93.0 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.029 0.831 . . . . 0.0 111.352 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.6 -34.5 78.37 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -87.84 -41.65 13.09 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -110.15 -13.13 14.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.01 5.45 80.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.453 1.025 . . . . 0.0 115.5 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -77.27 123.26 87.03 Favored Pre-proline 0 N--CA 1.478 0.955 0 CA-C-N 119.014 1.407 . . . . 0.0 109.703 -176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.83 137.85 75.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.903 2.402 . . . . 0.0 112.607 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.01 -31.92 66.16 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.724 2.949 . . . . 0.0 114.68 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -67.49 -21.14 65.52 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.247 1.019 . . . . 0.0 113.693 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -93.84 -14.13 26.47 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.678 1.191 . . . . 0.0 113.13 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.81 132.48 35.22 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.295 1.038 . . . . 0.0 112.816 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -124.72 120.29 31.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.73 1.612 . . . . 0.0 108.966 169.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 44' ' ' ILE . 68.2 mt -102.75 130.55 49.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.879 0.872 . . . . 0.0 109.919 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.4 mp -121.39 138.5 51.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.715 1.606 . . . . 0.0 108.284 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -143.17 136.99 28.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.466 1.106 . . . . 0.0 110.518 171.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.43 31.98 3.07 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.037 1.335 . . . . 0.0 114.381 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.83 20.15 74.13 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.059 1.184 . . . . 0.0 116.059 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -124.79 132.72 53.32 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.801 1.64 . . . . 0.0 110.107 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -80.18 134.42 36.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.269 0.628 . . . . 0.0 110.01 174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -95.56 140.28 30.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.549 1.14 . . . . 0.0 111.744 -169.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -108.19 138.41 44.51 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.928 1.291 . . . . 0.0 113.081 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.35 -41.98 60.99 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.568 1.547 . . . . 0.0 114.665 -171.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.96 -3.55 90.62 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.777 1.18 . . . . 0.0 115.373 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.86 163.94 12.76 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.257 1.423 . . . . 0.0 110.869 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.4 p -114.59 162.59 16.55 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.554 1.542 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.36 -35.15 69.59 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.0 p -71.26 -24.37 62.16 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.23 -29.67 69.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.975 1.262 . . . . 0.0 111.904 173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.82 5.08 52.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.522 1.529 . . . . 0.0 113.545 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 53.6 32.51 14.55 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.964 1.706 . . . . 0.0 113.895 -173.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 94.4 mt -72.52 136.86 24.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.955 0.902 . . . . 0.0 109.265 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -129.41 174.03 10.0 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.079 1.751 . . . . 0.0 111.366 -170.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.48 140.2 23.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.962 0.905 . . . . 0.0 112.115 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 61.91 15.81 7.5 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.136 1.774 . . . . 0.0 115.55 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.7 m -75.12 148.99 39.21 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 120.927 -1.108 . . . . 0.0 112.575 170.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.8 m -112.87 120.91 43.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.611 1.164 . . . . 0.0 111.129 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -93.23 152.15 19.37 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.347 1.459 . . . . 0.0 110.039 173.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -103.5 119.52 39.05 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.202 1.401 . . . . 0.0 109.627 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.3 tp -97.03 112.08 24.01 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.373 1.069 . . . . 0.0 110.884 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.4 t -95.49 143.33 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 126.002 1.721 . . . . 0.0 108.231 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.71 141.17 33.29 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.544 1.138 . . . . 0.0 110.159 172.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -131.87 156.27 46.39 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.378 1.071 . . . . 0.0 113.434 -169.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.9 71.03 5.33 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.494 1.518 . . . . 0.0 111.288 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -123.16 -83.52 0.65 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 172.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.27 20.51 65.3 Favored Glycine 0 CA--C 1.539 1.569 0 N-CA-C 115.085 0.794 . . . . 0.0 115.085 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.12 0 CA-C-N 118.076 0.938 . . . . 0.0 111.976 -174.304 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -113.6 140.77 47.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.599 1.159 . . . . 0.0 110.594 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 pt -128.96 159.04 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.811 1.245 . . . . 0.0 110.469 169.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -109.67 147.41 33.18 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 124.705 1.202 . . . . 0.0 111.213 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.49 120.17 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.364 1.066 . . . . 0.0 109.111 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -92.85 133.06 36.45 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.917 0.887 . . . . 0.0 111.532 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -85.19 169.51 13.77 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.019 1.328 . . . . 0.0 112.055 177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.2 mt -65.05 -25.83 67.99 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.456 -0.777 . . . . 0.0 112.824 169.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -79.94 -1.59 40.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.273 1.429 . . . . 0.0 113.897 173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.37 10.21 84.89 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.652 1.12 . . . . 0.0 115.018 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.4 141.78 41.32 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.862 1.265 . . . . 0.0 109.687 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.6 m -105.86 121.1 43.38 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.398 0.679 . . . . 0.0 110.469 171.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.6 mt -96.18 140.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 126.387 1.875 . . . . 0.0 107.997 174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 22.1 m -108.24 131.84 54.27 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.515 0.726 . . . . 0.0 109.788 171.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.15 131.55 52.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.98 1.312 . . . . 0.0 111.127 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.15 122.54 31.1 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.54 0.736 . . . . 0.0 109.787 171.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.44 159.86 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.515 1.526 . . . . 0.0 111.105 -170.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -109.87 154.71 42.45 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.574 1.15 . . . . 0.0 109.5 169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.66 63.32 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 122.407 2.071 . . . . 0.0 114.083 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.0 p -80.28 -6.15 57.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.117 1.767 . . . . 0.0 114.912 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.4 137.56 57.96 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 120.147 1.34 . . . . 0.0 111.559 173.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -73.21 157.19 37.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.594 0.758 . . . . 0.0 111.403 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -61.82 -31.61 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 121.162 -0.961 . . . . 0.0 110.406 170.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.1 -41.49 88.22 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.192 -0.943 . . . . 0.0 112.529 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -63.81 -38.62 91.77 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.295 -0.878 . . . . 0.0 111.565 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.0 -41.96 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 O-C-N 121.288 -0.883 . . . . 0.0 111.086 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.41 -40.72 91.99 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.104 0.866 . . . . 0.0 112.263 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.84 -38.49 86.49 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.788 0.835 . . . . 0.0 112.663 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.52 -38.79 92.47 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.237 -0.914 . . . . 0.0 112.092 172.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.6 mt -68.33 -40.93 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.625 0.77 . . . . 0.0 111.089 172.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -59.97 -41.38 91.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.021 0.828 . . . . 0.0 111.439 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.41 -34.56 78.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -87.62 -41.3 13.51 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -111.17 -10.66 14.29 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.72 10.5 80.07 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.29 0.948 . . . . 0.0 115.336 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.92 121.99 77.74 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.809 1.305 . . . . 0.0 109.575 -176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.77 137.65 81.22 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.146 2.564 . . . . 0.0 112.686 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -53.68 -34.07 72.4 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.684 2.923 . . . . 0.0 114.601 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.42 -20.28 66.3 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.335 1.054 . . . . 0.0 113.768 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -98.02 -4.21 36.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.301 1.44 . . . . 0.0 113.255 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -98.81 128.07 44.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.432 1.093 . . . . 0.0 112.36 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -119.06 119.39 34.1 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.203 1.401 . . . . 0.0 108.861 169.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 mt -103.54 130.84 51.02 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.851 0.86 . . . . 0.0 110.211 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -119.63 143.11 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.775 1.63 . . . . 0.0 109.154 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -141.61 133.89 27.96 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.978 1.311 . . . . 0.0 110.233 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.82 32.97 4.0 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 124.839 1.255 . . . . 0.0 113.99 -175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.22 -0.08 88.13 Favored Glycine 0 CA--C 1.542 1.766 0 C-N-CA 125.191 1.377 . . . . 0.0 116.072 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -102.24 135.71 43.36 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.686 1.594 . . . . 0.0 111.313 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -80.2 140.15 36.43 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.383 0.673 . . . . 0.0 111.204 175.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.5 mt -101.0 142.98 31.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.98 1.312 . . . . 0.0 112.017 -172.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.06 138.19 49.06 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.049 1.339 . . . . 0.0 113.046 -169.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.71 -42.82 57.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.707 1.603 . . . . 0.0 114.744 -170.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.14 -3.76 90.61 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.688 1.137 . . . . 0.0 115.362 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -95.85 164.29 12.8 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.182 1.393 . . . . 0.0 110.984 175.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.95 162.32 17.11 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.688 1.595 . . . . 0.0 112.432 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.3 mt -57.71 -34.47 69.5 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.9 p -71.48 -24.63 62.03 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.11 -29.29 69.58 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.993 1.269 . . . . 0.0 111.871 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -95.21 4.74 53.24 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.455 1.502 . . . . 0.0 113.545 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 53.73 32.28 14.45 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.069 1.748 . . . . 0.0 114.031 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -71.21 133.93 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.178 0.991 . . . . 0.0 109.457 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -121.57 170.12 10.01 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.91 1.684 . . . . 0.0 111.78 -171.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -52.64 139.16 26.72 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.925 0.89 . . . . 0.0 112.318 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 60.63 19.31 9.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.025 1.73 . . . . 0.0 115.511 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -67.03 146.71 54.06 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.776 -1.203 . . . . 0.0 111.951 170.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.7 m -106.71 118.7 37.36 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.517 0.727 . . . . 0.0 111.041 172.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.19 158.49 15.57 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.762 1.625 . . . . 0.0 109.743 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -118.85 121.41 39.95 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 109.845 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 tp -99.34 114.73 27.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.002 1.321 . . . . 0.0 110.666 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 96.4 t -98.09 137.79 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.184 1.793 . . . . 0.0 108.832 171.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.61 164.67 37.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.294 1.438 . . . . 0.0 111.662 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 28.5 ptt85 -153.23 152.01 30.71 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.532 1.133 . . . . 0.0 113.522 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 50.93 39.69 23.34 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.988 2.115 . . . . 0.0 114.185 175.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.67 -41.84 95.86 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 121.143 -0.973 . . . . 0.0 113.139 -173.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.81 12.91 46.09 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.486 1.517 . . . . 0.0 114.427 174.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.214 0 CA-C-O 117.991 -1.449 . . . . 0.0 113.396 -169.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 ttp . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.19 0.043 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.1 t -130.62 134.95 47.4 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.724 1.21 . . . . 0.0 110.35 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -94.16 -48.08 6.37 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 125.092 1.357 . . . . 0.0 110.401 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.38 -40.61 96.16 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -170.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.62 -48.24 64.59 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.303 0.573 . . . . 0.0 110.427 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -66.41 -40.2 89.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.408 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -61.08 -53.31 58.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.928 0.891 . . . . 0.0 112.183 172.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.99 67.12 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.921 0.489 . . . . 0.0 111.745 175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.72 -45.03 84.24 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.925 0.89 . . . . 0.0 112.394 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.62 85.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.207 0.603 . . . . 0.0 110.531 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.38 -45.03 94.99 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.323 1.049 . . . . 0.0 112.017 176.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -46.06 89.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.079 1.352 . . . . 0.0 112.464 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 72.0 mtm -59.94 -38.02 81.21 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.464 -0.772 . . . . 0.0 112.352 171.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -37.07 85.96 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -71.38 -40.4 70.59 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.449 -0.782 . . . . 0.0 111.721 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -61.36 -47.68 84.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 118.763 -0.636 . . . . 0.0 111.373 174.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.13 -49.42 69.24 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.664 0.786 . . . . 0.0 111.394 173.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.16 86.18 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.599 -0.688 . . . . 0.0 112.446 178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -66.33 -48.75 69.29 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.1 0.96 . . . . 0.0 111.68 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.83 -33.13 73.31 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.17 -48.25 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 118.587 0.63 . . . . 0.0 110.798 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -59.82 -43.08 94.71 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.792 -0.567 . . . . 0.0 111.736 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 58.2 m -64.49 -43.15 95.05 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -72.62 -35.69 67.88 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 119.305 0.957 . . . . 0.0 111.803 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.78 -43.76 97.96 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.454 1.024 . . . . 0.0 112.224 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -63.22 -44.98 93.76 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.47 0.577 . . . . 0.0 112.21 176.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -66.24 -41.05 90.54 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.36 -41.47 85.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.851 0.86 . . . . 0.0 112.086 176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.98 -42.48 89.79 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.574 -0.704 . . . . 0.0 112.228 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.48 -36.03 68.35 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.877 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -54.1 -52.67 60.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.091 1.314 . . . . 0.0 111.552 170.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 64.1 tp -55.38 -48.51 74.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.061 0.392 . . . . 0.0 110.65 177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -51.75 67.87 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.678 0.791 . . . . 0.0 112.02 176.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 8.6 mtpp -53.18 -46.49 68.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.4 1.88 . . . . 0.0 111.304 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.85 -46.88 88.82 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.113 0.565 . . . . 0.0 111.428 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.46 -51.08 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.438 0.563 . . . . 0.0 110.866 173.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.4 96.52 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.716 0.806 . . . . 0.0 111.765 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -71.06 -29.36 65.22 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 120.778 -1.201 . . . . 0.0 112.31 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.8 t -66.71 -32.69 74.16 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.512 -0.742 . . . . 0.0 112.648 172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -87.28 -24.94 24.18 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 174.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -82.91 -26.59 31.33 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 48.8 m -131.17 42.03 3.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.165 1.386 . . . . 0.0 112.011 -172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 22.6 p -72.05 177.61 4.26 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.727 1.211 . . . . 0.0 112.69 172.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -60.35 149.87 74.95 Favored Pre-proline 0 N--CA 1.479 1.024 0 C-N-CA 123.891 0.876 . . . . 0.0 111.356 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -57.6 122.03 11.06 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.682 2.254 . . . . 0.0 110.111 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 46.6 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 125.796 1.638 . . . . 0.0 112.558 -169.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -115.83 141.1 48.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.468 1.107 . . . . 0.0 110.567 173.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.55 161.14 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.975 1.31 . . . . 0.0 110.072 169.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -119.58 143.1 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.667 1.187 . . . . 0.0 110.512 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.8 120.42 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 124.093 0.957 . . . . 0.0 109.094 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -98.4 134.01 41.99 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.16 0.984 . . . . 0.0 111.586 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -88.5 170.38 10.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.323 1.449 . . . . 0.0 112.493 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -64.61 -26.08 68.24 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.518 -0.739 . . . . 0.0 112.817 169.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -81.22 -1.81 46.27 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.569 1.547 . . . . 0.0 113.813 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.26 10.41 85.46 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.615 1.103 . . . . 0.0 115.066 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -76.21 145.13 40.01 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.014 1.325 . . . . 0.0 109.787 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -108.26 127.99 54.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.405 0.682 . . . . 0.0 110.722 170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mt -102.74 138.58 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.599 1.959 . . . . 0.0 107.793 173.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.7 m -106.93 131.28 54.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.342 0.657 . . . . 0.0 109.639 172.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.66 132.07 52.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.83 1.252 . . . . 0.0 111.201 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -90.13 121.28 32.05 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.665 0.786 . . . . 0.0 109.835 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 m -148.65 161.98 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.231 1.412 . . . . 0.0 111.426 -169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -111.92 155.77 42.76 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 124.995 1.318 . . . . 0.0 109.372 169.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -57.05 -25.41 63.18 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.357 2.038 . . . . 0.0 114.072 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.6 p -79.66 -6.7 57.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.025 1.73 . . . . 0.0 115.053 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.38 136.68 57.35 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.211 1.369 . . . . 0.0 111.697 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.3 p -72.75 157.1 38.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.718 0.807 . . . . 0.0 111.496 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.99 -31.01 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.094 -1.004 . . . . 0.0 110.557 169.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.8 87.0 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.251 -0.906 . . . . 0.0 112.401 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -64.29 -38.9 92.69 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.287 -0.883 . . . . 0.0 111.674 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.04 -42.84 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 O-C-N 121.205 -0.934 . . . . 0.0 111.011 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -60.15 -41.35 92.59 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.349 -0.844 . . . . 0.0 112.21 173.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.01 88.32 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.711 0.804 . . . . 0.0 112.633 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.28 -37.39 87.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.974 0.91 . . . . 0.0 112.125 173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.8 mt -69.07 -41.31 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.582 0.753 . . . . 0.0 110.982 172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -60.39 -40.27 90.3 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.159 0.891 . . . . 0.0 111.478 175.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.98 -32.91 74.86 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -90.46 -41.39 11.47 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -109.55 -13.41 14.55 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.78 5.89 80.39 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.489 1.042 . . . . 0.0 115.532 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -77.68 124.02 86.53 Favored Pre-proline 0 N--CA 1.477 0.879 0 CA-C-N 118.932 1.366 . . . . 0.0 109.991 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.47 136.77 69.78 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 122.988 2.459 . . . . 0.0 112.71 178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.75 -31.6 62.0 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.836 3.024 . . . . 0.0 114.849 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.19 -22.94 65.71 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.327 1.051 . . . . 0.0 113.697 176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -92.89 -18.22 23.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.686 1.194 . . . . 0.0 113.047 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -83.77 129.97 34.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.284 1.034 . . . . 0.0 112.7 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -120.35 120.19 35.28 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.309 1.444 . . . . 0.0 108.504 169.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.9 mt -103.69 129.49 51.03 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.772 0.829 . . . . 0.0 109.903 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.8 136.93 56.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.608 1.563 . . . . 0.0 108.631 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -142.15 138.93 31.93 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.058 1.343 . . . . 0.0 110.171 172.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.46 28.37 2.41 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.4 22.67 58.25 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.424 1.011 . . . . 0.0 115.452 -177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -133.51 137.41 45.6 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.393 1.877 . . . . 0.0 110.265 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -82.28 137.74 34.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.232 0.613 . . . . 0.0 110.407 173.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.0 mt -96.08 143.92 26.8 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.573 1.149 . . . . 0.0 112.17 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -111.79 137.95 49.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.988 1.315 . . . . 0.0 113.209 -169.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.0 -42.53 60.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.739 1.616 . . . . 0.0 114.591 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.97 -3.55 90.63 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.799 1.19 . . . . 0.0 115.425 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -96.86 163.63 12.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.133 1.373 . . . . 0.0 110.916 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.61 162.45 16.74 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.428 1.491 . . . . 0.0 112.451 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.4 mt -57.06 -35.7 69.65 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.7 p -70.87 -24.43 62.5 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.25 -29.75 70.05 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.977 1.262 . . . . 0.0 111.842 173.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.83 4.42 53.84 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.484 1.514 . . . . 0.0 113.482 174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 53.67 31.24 12.35 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.075 1.75 . . . . 0.0 114.135 -173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.85 133.42 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.875 0.87 . . . . 0.0 109.158 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -129.11 174.55 9.45 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.091 1.757 . . . . 0.0 111.312 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -52.06 142.4 16.15 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 112.94 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 61.27 14.85 5.94 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.611 1.964 . . . . 0.0 115.851 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -67.3 146.75 53.81 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.526 0.73 . . . . 0.0 112.225 176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 m -101.34 125.21 47.95 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.224 1.01 . . . . 0.0 110.903 173.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.58 151.55 23.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.618 1.567 . . . . 0.0 109.698 169.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -101.79 123.7 46.18 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.824 1.25 . . . . 0.0 109.973 174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.9 tp -100.1 116.46 32.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.59 1.156 . . . . 0.0 110.662 176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.55 144.76 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 126.795 2.038 . . . . 0.0 109.273 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.9 118.65 16.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.267 1.427 . . . . 0.0 108.627 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.0 mtp-105 -131.83 159.5 38.35 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.512 1.525 . . . . 0.0 112.052 -174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.7 mt 62.44 164.34 0.1 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 128.284 2.633 . . . . 0.0 115.189 -174.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.61 130.0 51.61 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.143 1.777 . . . . 0.0 109.698 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.94 -9.84 4.83 Favored Glycine 0 CA--C 1.541 1.668 0 C-N-CA 124.877 1.227 . . . . 0.0 115.634 -173.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.745 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 175.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -114.33 141.01 48.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.393 1.077 . . . . 0.0 110.734 173.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -128.36 159.34 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.918 1.287 . . . . 0.0 110.63 169.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -109.44 145.87 35.46 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.606 1.162 . . . . 0.0 111.157 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.7 t -130.16 119.19 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.265 1.026 . . . . 0.0 109.291 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.19 132.66 35.95 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.849 0.86 . . . . 0.0 111.51 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.8 p -85.64 169.26 13.66 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.995 1.318 . . . . 0.0 112.011 176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.43 -26.34 67.92 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.403 -0.811 . . . . 0.0 112.534 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -78.27 -1.63 33.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.134 1.374 . . . . 0.0 113.972 173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.17 10.04 85.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.682 1.134 . . . . 0.0 114.998 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.33 141.11 41.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.946 1.298 . . . . 0.0 109.673 173.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.0 m -106.21 116.44 31.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.266 0.626 . . . . 0.0 110.166 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mt -90.84 140.91 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.109 1.764 . . . . 0.0 108.043 173.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -107.45 131.32 54.42 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.348 0.659 . . . . 0.0 109.744 170.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -124.28 134.26 53.26 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.849 1.26 . . . . 0.0 111.157 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -90.93 120.48 31.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.817 0.847 . . . . 0.0 109.708 173.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.12 160.88 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.307 1.443 . . . . 0.0 111.454 -169.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -110.74 155.46 42.24 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 124.885 1.274 . . . . 0.0 109.368 169.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -56.72 -25.41 60.27 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.322 2.015 . . . . 0.0 114.067 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.4 p -80.24 -6.1 57.29 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.929 1.692 . . . . 0.0 114.868 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.74 137.08 57.59 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.174 1.352 . . . . 0.0 111.536 173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.0 p -73.62 157.51 36.51 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.77 0.828 . . . . 0.0 111.561 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.11 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 O-C-N 121.175 -0.953 . . . . 0.0 110.483 170.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.68 -41.55 86.48 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.206 -0.934 . . . . 0.0 112.486 170.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.53 -38.65 91.76 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.218 -0.926 . . . . 0.0 111.713 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.2 -42.92 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 O-C-N 121.252 -0.905 . . . . 0.0 111.083 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.66 -41.63 91.02 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.327 -0.858 . . . . 0.0 112.188 173.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.85 87.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.849 0.86 . . . . 0.0 112.683 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.09 -37.68 88.33 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.237 -0.915 . . . . 0.0 112.11 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -68.77 -41.28 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.488 0.715 . . . . 0.0 111.087 172.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.26 -40.2 89.5 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.157 0.889 . . . . 0.0 111.533 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.53 -34.09 77.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.97 -41.75 12.19 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.233 1.198 . . . . 0.0 114.233 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -109.85 -13.39 14.46 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 4.91 79.44 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.425 1.012 . . . . 0.0 115.567 -177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.74 123.19 86.51 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 119.046 1.423 . . . . 0.0 109.739 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.34 139.1 85.01 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.957 2.438 . . . . 0.0 112.788 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -53.66 -33.19 68.36 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.812 3.008 . . . . 0.0 114.672 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.18 -21.73 65.78 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.444 1.098 . . . . 0.0 113.734 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.54 -10.79 28.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.969 1.308 . . . . 0.0 113.157 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -92.03 132.79 36.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.622 1.169 . . . . 0.0 112.291 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -122.56 117.56 26.18 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.582 1.553 . . . . 0.0 108.544 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.8 mt -102.26 132.03 48.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.757 0.823 . . . . 0.0 110.53 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.95 142.29 37.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.735 1.614 . . . . 0.0 109.197 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -141.28 136.04 31.22 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.15 1.38 . . . . 0.0 109.719 169.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 36.73 7.0 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.481 1.112 . . . . 0.0 113.84 -175.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.67 0.23 67.47 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.009 1.29 . . . . 0.0 116.108 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -103.86 136.17 44.03 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.831 1.652 . . . . 0.0 111.307 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.22 140.45 37.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.315 0.646 . . . . 0.0 111.236 175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.5 mt -102.26 145.36 29.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.093 1.357 . . . . 0.0 111.963 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.97 138.32 50.51 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.929 1.292 . . . . 0.0 112.994 -169.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.14 -43.53 52.02 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 114.681 -170.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.4 -4.63 90.39 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.699 1.142 . . . . 0.0 115.308 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -94.25 163.47 13.43 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.156 1.382 . . . . 0.0 110.902 175.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.15 162.34 17.17 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.545 1.538 . . . . 0.0 112.571 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.35 -34.35 68.71 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.1 p -72.07 -24.53 61.53 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.16 -30.54 71.04 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.918 1.235 . . . . 0.0 111.622 173.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -93.56 4.35 54.09 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.473 1.509 . . . . 0.0 113.417 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 52.75 35.65 19.15 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.992 1.717 . . . . 0.0 113.927 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.4 mt -73.02 132.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.273 1.029 . . . . 0.0 109.838 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -115.51 170.88 8.09 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.552 1.541 . . . . 0.0 111.638 -173.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -53.55 139.39 31.61 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 60.66 21.01 10.96 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.1 1.76 . . . . 0.0 115.337 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.8 m -68.25 148.35 50.94 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 120.771 -1.206 . . . . 0.0 112.508 171.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 m -104.87 117.43 34.01 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.05 0.94 . . . . 0.0 110.972 174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.89 159.42 14.93 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.744 1.618 . . . . 0.0 109.289 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -124.11 120.33 32.03 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.52 1.128 . . . . 0.0 109.783 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.04 114.47 26.64 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.053 1.341 . . . . 0.0 110.561 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 81.1 t -99.42 144.41 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 126.731 2.013 . . . . 0.0 109.04 171.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.11 152.15 35.64 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.18 1.392 . . . . 0.0 110.65 173.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -93.39 -58.3 2.34 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.2 tp 56.87 -179.58 0.05 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.622 1.969 . . . . 0.0 114.344 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttm-85 -139.31 -70.61 0.41 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.812 1.245 . . . . 0.0 111.787 170.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.73 36.55 0.03 OUTLIER Glycine 0 CA--C 1.537 1.408 0 C-N-CA 123.964 0.792 . . . . 0.0 114.662 -175.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 C-N-CA 125.106 1.336 . . . . 0.0 112.844 -176.193 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.132 0.049 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -138.9 124.89 19.94 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.822 1.249 . . . . 0.0 109.87 172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -94.16 -38.6 11.0 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 124.512 1.125 . . . . 0.0 112.34 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.03 -41.08 78.15 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.306 0.957 . . . . 0.0 112.807 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -68.75 -47.07 67.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.862 0.865 . . . . 0.0 110.201 178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.22 -41.9 93.95 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.325 1.05 . . . . 0.0 112.322 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.95 -53.16 61.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.151 0.58 . . . . 0.0 112.314 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.0 -36.99 66.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.967 0.507 . . . . 0.0 112.131 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.78 -44.35 77.61 Favored 'General case' 0 CA--C 1.527 0.084 0 C-N-CA 123.838 0.855 . . . . 0.0 112.375 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.71 84.56 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.43 0.692 . . . . 0.0 110.365 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.26 -44.1 95.58 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.443 1.097 . . . . 0.0 112.073 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.31 85.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.904 1.282 . . . . 0.0 112.653 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 71.0 mtm -59.19 -38.61 80.26 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.545 -0.722 . . . . 0.0 112.198 170.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.5 -34.23 77.77 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.431 0.901 . . . . 0.0 113.431 174.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.72 -41.63 65.0 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.54 -0.725 . . . . 0.0 111.689 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -61.25 -46.4 90.55 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.911 -0.493 . . . . 0.0 111.378 173.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.84 -46.81 81.48 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.547 0.739 . . . . 0.0 111.62 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.66 -42.62 83.88 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.053 -1.029 . . . . 0.0 112.264 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -65.6 -50.03 66.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.834 0.853 . . . . 0.0 111.253 -177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -69.42 -30.11 67.98 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.1 -46.69 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.807 0.73 . . . . 0.0 110.607 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -60.39 -42.18 95.38 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.819 -0.55 . . . . 0.0 111.616 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 66.2 m -61.59 -47.76 84.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.182 -0.437 . . . . 0.0 112.116 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -73.82 -33.45 64.18 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.151 0.887 . . . . 0.0 112.633 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.43 -47.13 83.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.953 0.797 . . . . 0.0 111.636 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -64.59 -41.17 96.42 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.777 -0.577 . . . . 0.0 112.08 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -66.86 -39.71 87.66 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 178.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -72.44 -36.29 68.5 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.006 1.276 . . . . 0.0 112.836 177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.34 -47.96 79.97 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.242 -0.911 . . . . 0.0 111.609 170.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -66.83 -33.71 76.2 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.776 -0.578 . . . . 0.0 111.749 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.92 -53.03 63.02 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.239 1.016 . . . . 0.0 111.192 170.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 48.0 tp -56.83 -50.07 73.51 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.278 0.49 . . . . 0.0 111.264 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.65 -53.05 59.89 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.881 0.872 . . . . 0.0 111.415 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -55.53 -46.87 77.0 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.668 1.187 . . . . 0.0 111.736 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.35 -53.12 61.07 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.131 0.573 . . . . 0.0 110.949 177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.0 -49.01 80.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 118.492 0.587 . . . . 0.0 111.124 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.96 97.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.34 0.656 . . . . 0.0 111.687 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.79 -30.65 70.13 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 120.234 -1.541 . . . . 0.0 112.336 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 59.8 m -68.88 -19.64 64.24 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -101.98 -20.94 14.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 172.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -89.24 -43.54 10.91 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.876 1.271 . . . . 0.0 113.521 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 11.2 t -148.06 75.21 1.33 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.386 1.474 . . . . 0.0 109.767 -170.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.5 p -72.33 74.49 1.0 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.221 1.808 . . . . 0.0 111.262 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -53.5 147.62 20.05 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 127.921 2.488 . . . . 0.0 115.539 -169.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -66.45 160.07 47.41 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.491 2.794 . . . . 0.0 113.525 -172.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 127.087 2.155 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -115.14 141.21 48.33 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 110.454 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.14 160.18 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.878 1.271 . . . . 0.0 110.656 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -111.27 148.2 33.41 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.983 1.313 . . . . 0.0 111.363 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.9 122.03 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.307 1.043 . . . . 0.0 109.235 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -96.59 133.21 41.37 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.276 1.03 . . . . 0.0 111.785 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.4 p -86.0 168.92 13.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.978 1.311 . . . . 0.0 112.116 177.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.95 -24.32 66.78 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.38 -0.825 . . . . 0.0 112.828 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -80.53 -1.57 42.48 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.377 1.471 . . . . 0.0 113.745 173.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.45 10.29 84.7 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.761 1.172 . . . . 0.0 115.114 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.61 141.99 40.86 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.797 1.239 . . . . 0.0 109.754 173.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -107.84 121.67 45.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.533 0.733 . . . . 0.0 110.411 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.9 mt -97.39 140.48 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.339 1.855 . . . . 0.0 108.054 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 m -107.72 132.06 53.76 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.521 0.728 . . . . 0.0 109.78 171.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.61 133.1 52.37 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.04 1.336 . . . . 0.0 110.97 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -89.58 121.93 32.25 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.558 0.743 . . . . 0.0 109.87 173.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.52 162.37 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.308 1.443 . . . . 0.0 111.282 -169.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -112.68 155.51 43.83 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.995 1.318 . . . . 0.0 109.439 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -56.7 -25.81 62.18 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.433 2.089 . . . . 0.0 114.008 178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.41 -5.8 57.07 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.789 1.636 . . . . 0.0 114.967 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.53 137.37 57.81 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.216 1.371 . . . . 0.0 111.519 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.7 p -73.04 157.36 37.5 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.675 0.79 . . . . 0.0 111.457 172.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.07 -31.36 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.128 -0.982 . . . . 0.0 110.508 170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.7 -41.36 86.11 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.26 -0.9 . . . . 0.0 112.435 171.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -64.35 -38.43 91.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.3 -0.875 . . . . 0.0 111.582 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.82 -42.67 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 121.185 -0.947 . . . . 0.0 110.973 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -60.01 -41.19 91.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.182 0.901 . . . . 0.0 112.193 173.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.78 -38.4 86.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.879 0.872 . . . . 0.0 112.654 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -64.36 -38.1 89.84 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.274 -0.891 . . . . 0.0 112.058 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.9 mt -68.14 -41.34 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 123.528 0.731 . . . . 0.0 111.041 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.23 -41.07 92.31 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.061 0.846 . . . . 0.0 111.497 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.3 -34.84 79.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.44 -41.68 13.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.82 -12.88 14.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.34 6.02 82.91 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.438 1.018 . . . . 0.0 115.369 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.6 mt -78.28 121.65 84.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 118.833 1.316 . . . . 0.0 109.703 -175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -61.82 139.4 79.9 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.58 -34.43 72.97 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.736 2.958 . . . . 0.0 114.691 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.5 -19.57 65.98 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.321 1.048 . . . . 0.0 113.78 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -96.93 -5.61 37.58 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.174 1.389 . . . . 0.0 113.126 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -99.9 127.83 46.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.429 1.091 . . . . 0.0 112.599 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -117.34 116.38 27.1 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.15 1.38 . . . . 0.0 108.221 169.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.6 mt -99.72 129.08 45.81 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.568 0.747 . . . . 0.0 109.78 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.45 137.36 53.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.814 1.646 . . . . 0.0 108.525 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -143.09 134.86 26.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.531 1.132 . . . . 0.0 110.183 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.59 36.69 5.64 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.626 1.17 . . . . 0.0 113.861 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.76 9.32 86.98 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 116.626 1.41 . . . . 0.0 116.626 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -114.18 129.82 56.62 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.35 1.46 . . . . 0.0 109.936 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -77.23 131.87 38.43 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 172.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.6 139.22 30.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.385 1.074 . . . . 0.0 111.672 -169.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.57 138.12 43.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.914 1.286 . . . . 0.0 113.159 -169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.87 -41.02 61.56 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.413 1.485 . . . . 0.0 114.623 -171.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.29 -3.67 90.61 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.754 1.168 . . . . 0.0 115.33 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.82 163.67 12.89 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 110.988 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.1 162.3 17.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.623 1.569 . . . . 0.0 112.469 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -57.19 -35.62 69.82 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.602 -0.687 . . . . 0.0 112.828 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.58 -24.34 62.75 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 175.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.38 -29.07 69.17 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.984 1.265 . . . . 0.0 111.863 173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.8 5.35 51.54 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.57 1.548 . . . . 0.0 113.438 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.16 29.81 11.11 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.145 1.778 . . . . 0.0 114.126 -173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.5 mt -71.55 134.12 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.239 1.016 . . . . 0.0 109.363 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -130.36 175.73 8.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.155 1.782 . . . . 0.0 111.274 -170.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.65 141.65 16.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.55 0.74 . . . . 0.0 112.513 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.61 19.73 8.32 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.874 1.67 . . . . 0.0 115.097 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.6 m -70.53 147.16 49.63 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.05 -1.031 . . . . 0.0 111.553 171.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.5 m -113.06 118.48 34.9 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.887 0.875 . . . . 0.0 111.296 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.86 154.49 17.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.882 1.673 . . . . 0.0 110.262 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -107.1 121.54 44.7 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.285 1.434 . . . . 0.0 110.052 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 tp -98.76 111.78 24.06 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.516 1.126 . . . . 0.0 110.607 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.74 138.2 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.864 1.666 . . . . 0.0 109.621 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -154.26 165.08 37.43 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.631 1.572 . . . . 0.0 110.959 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.81 170.57 20.65 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.709 1.604 . . . . 0.0 110.258 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.36 46.02 0.7 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 125.905 1.682 . . . . 0.0 112.414 -174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -145.33 154.86 42.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.63 1.572 . . . . 0.0 112.475 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.4 -103.87 1.44 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.639 1.59 . . . . 0.0 111.227 176.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.829 0 C-N-CA 124.831 1.205 . . . . 0.0 115.136 176.527 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -115.04 141.55 47.84 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.612 1.165 . . . . 0.0 110.452 173.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 pt -129.11 158.84 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.978 1.311 . . . . 0.0 110.554 169.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -108.62 144.6 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.518 1.127 . . . . 0.0 111.059 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 t -129.19 117.9 44.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.306 1.042 . . . . 0.0 109.158 174.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -91.03 133.08 35.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.876 0.87 . . . . 0.0 111.462 175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.0 p -84.29 168.5 15.6 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.839 1.255 . . . . 0.0 111.826 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.05 -29.86 71.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.461 -0.774 . . . . 0.0 112.375 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.13 -1.81 31.15 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.484 1.513 . . . . 0.0 114.088 174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.24 9.95 84.36 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.746 1.165 . . . . 0.0 115.192 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -75.86 141.37 42.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 109.695 172.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.3 m -106.7 118.62 37.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.365 0.666 . . . . 0.0 110.407 172.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -93.45 140.96 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.295 1.838 . . . . 0.0 108.034 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -108.09 131.59 54.45 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.372 0.669 . . . . 0.0 109.72 171.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.73 133.32 53.22 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.72 1.208 . . . . 0.0 111.067 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -89.1 121.36 31.36 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.688 0.795 . . . . 0.0 109.945 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.3 161.45 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.385 1.474 . . . . 0.0 111.208 -170.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.66 155.33 43.22 Favored Pre-proline 0 CA--C 1.543 0.69 0 C-N-CA 124.87 1.268 . . . . 0.0 109.499 169.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.61 -25.79 61.29 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 122.455 2.103 . . . . 0.0 114.021 178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.08 -6.06 56.98 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.836 1.654 . . . . 0.0 114.947 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.71 137.32 57.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 120.217 1.372 . . . . 0.0 111.578 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -73.3 157.57 36.78 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.662 0.785 . . . . 0.0 111.453 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.02 -31.37 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.125 -0.984 . . . . 0.0 110.475 170.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.64 -41.61 86.41 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.283 -0.886 . . . . 0.0 112.457 170.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.44 -38.14 89.98 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.313 -0.867 . . . . 0.0 111.677 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -64.35 -42.94 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.196 -0.94 . . . . 0.0 110.931 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.02 -41.19 91.64 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.091 0.86 . . . . 0.0 112.252 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.54 87.26 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.883 0.873 . . . . 0.0 112.706 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.21 90.22 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.309 -0.869 . . . . 0.0 112.128 173.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.13 -41.11 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.529 0.731 . . . . 0.0 110.994 172.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.62 -40.5 92.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.104 0.866 . . . . 0.0 111.482 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.54 -35.19 80.13 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -87.06 -41.27 13.97 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -111.08 -12.54 14.17 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 -169.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.16 6.87 83.97 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.422 1.011 . . . . 0.0 115.484 -177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.2 mt -78.25 123.34 85.92 Favored Pre-proline 0 N--CA 1.476 0.851 0 CA-C-N 118.798 1.299 . . . . 0.0 109.928 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -60.13 135.07 59.96 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.97 2.447 . . . . 0.0 112.578 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -53.91 -33.54 72.42 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.707 2.938 . . . . 0.0 114.614 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.68 -20.81 66.44 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.3 1.04 . . . . 0.0 113.729 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -97.24 -7.54 32.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.233 1.413 . . . . 0.0 113.149 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.84 127.66 41.01 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.345 1.058 . . . . 0.0 112.358 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -117.76 122.32 43.13 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.117 1.367 . . . . 0.0 108.231 169.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.5 mt -107.0 131.84 53.61 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.748 0.819 . . . . 0.0 110.288 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.7 142.86 34.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 125.719 1.608 . . . . 0.0 109.208 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -140.21 134.47 31.18 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.073 1.349 . . . . 0.0 109.813 169.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.47 33.03 5.17 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -175.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.8 0.01 83.59 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.088 1.327 . . . . 0.0 116.035 -176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -102.14 136.03 42.69 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.785 1.634 . . . . 0.0 111.3 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -80.05 140.28 36.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.464 0.706 . . . . 0.0 111.285 176.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 mt -102.19 146.84 27.4 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.223 1.409 . . . . 0.0 112.13 -171.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.35 138.24 51.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.949 1.299 . . . . 0.0 113.029 -169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.65 -43.04 57.09 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.752 1.621 . . . . 0.0 114.786 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -4.03 90.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.707 1.146 . . . . 0.0 115.354 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.62 163.25 13.28 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.104 1.361 . . . . 0.0 110.902 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.27 162.22 16.86 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.481 1.512 . . . . 0.0 112.543 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.3 mt -57.26 -35.08 69.3 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.585 -0.697 . . . . 0.0 112.755 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -71.24 -24.46 62.19 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.21 -29.68 69.99 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.969 1.259 . . . . 0.0 111.841 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -94.71 5.1 52.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.505 1.522 . . . . 0.0 113.493 174.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 53.69 32.93 15.55 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.897 1.679 . . . . 0.0 113.81 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -73.1 134.64 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.132 0.973 . . . . 0.0 109.491 176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -125.72 176.2 7.07 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.071 1.749 . . . . 0.0 111.546 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.79 144.47 22.32 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.511 -0.743 . . . . 0.0 112.952 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 59.44 19.43 7.79 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.974 1.709 . . . . 0.0 114.95 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.2 m -68.51 145.57 53.91 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.144 -0.972 . . . . 0.0 111.874 172.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.0 m -102.38 115.94 31.61 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.733 0.813 . . . . 0.0 111.091 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.76 158.18 15.55 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.162 1.385 . . . . 0.0 108.937 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -122.29 120.74 34.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.601 1.16 . . . . 0.0 109.801 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.6 tp -98.13 117.43 32.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.183 1.393 . . . . 0.0 110.584 -176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.5 t -104.34 137.37 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 126.758 2.023 . . . . 0.0 108.872 174.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 pp -158.93 166.98 30.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.495 1.518 . . . . 0.0 111.348 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 139.6 18.59 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.472 1.109 . . . . 0.0 111.88 169.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.52 34.6 0.95 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.237 1.415 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.28 26.16 5.0 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 126.501 1.92 . . . . 0.0 114.617 -172.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.05 -174.71 45.39 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.433 1.492 . . . . 0.0 112.87 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.185 0 C-N-CA 125.318 1.437 . . . . 0.0 112.664 -179.593 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 110.913 -0.032 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.1 t -137.23 137.11 38.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.819 1.247 . . . . 0.0 111.412 173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.13 -39.99 10.28 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 125.158 1.383 . . . . 0.0 111.602 176.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -71.25 -40.0 71.28 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -170.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.69 -46.54 68.75 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.264 0.554 . . . . 0.0 110.11 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.21 -41.48 97.04 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.732 1.213 . . . . 0.0 111.91 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -59.18 -54.97 40.89 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.698 0.799 . . . . 0.0 112.472 172.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.68 66.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.309 0.644 . . . . 0.0 111.965 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.26 -44.29 79.75 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.877 0.871 . . . . 0.0 112.598 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.03 -47.41 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.725 0.81 . . . . 0.0 110.673 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.1 -47.46 83.16 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.022 0.929 . . . . 0.0 111.786 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.71 -45.89 90.64 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.701 1.2 . . . . 0.0 112.616 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.1 mtm -60.28 -37.78 81.52 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.412 -0.805 . . . . 0.0 112.715 171.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -37.02 85.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.771 0.828 . . . . 0.0 112.893 173.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.36 -40.14 67.54 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.549 -0.719 . . . . 0.0 111.931 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -61.18 -46.7 89.4 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.548 -0.72 . . . . 0.0 111.504 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.12 -47.34 78.31 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.563 0.745 . . . . 0.0 111.397 174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.4 -43.92 84.12 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.276 -0.89 . . . . 0.0 112.67 176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -64.78 -50.21 67.68 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.108 0.963 . . . . 0.0 111.393 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -68.83 -32.9 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.11 -47.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.498 0.59 . . . . 0.0 110.641 172.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -59.64 -41.6 90.84 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.992 -0.443 . . . . 0.0 111.912 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -49.59 77.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 118.214 0.461 . . . . 0.0 111.925 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -71.27 -31.59 67.68 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.057 0.844 . . . . 0.0 113.07 -177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.35 -44.87 86.35 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.167 0.894 . . . . 0.0 112.301 172.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.14 -39.84 93.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.713 -0.617 . . . . 0.0 112.033 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.01 -39.34 90.16 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.451 0.7 . . . . 0.0 112.677 175.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -67.78 -42.2 82.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.419 1.009 . . . . 0.0 112.079 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.66 -46.22 86.62 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 175.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -68.29 -34.69 76.61 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.711 -0.618 . . . . 0.0 112.241 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.76 -53.52 57.44 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.329 0.968 . . . . 0.0 111.057 171.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.7 tp -57.51 -47.88 80.76 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.05 0.386 . . . . 0.0 110.867 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.83 60.84 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.772 0.829 . . . . 0.0 111.335 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -56.38 -46.61 79.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.328 1.051 . . . . 0.0 112.052 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -56.92 -46.97 81.65 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.184 0.594 . . . . 0.0 111.342 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.7 -51.72 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 121.845 -0.534 . . . . 0.0 111.067 173.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.28 -40.67 82.52 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.02 0.928 . . . . 0.0 112.119 -177.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -77.71 -29.85 51.49 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 125.324 1.449 . . . . 0.0 111.99 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.9 t -64.24 -26.64 68.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.931 0.893 . . . . 0.0 111.866 169.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -86.06 -42.06 14.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.818 1.247 . . . . 0.0 111.641 174.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -74.79 -50.53 16.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.641 1.177 . . . . 0.0 113.721 -171.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 14.3 p -159.4 68.8 0.43 Allowed 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 122.345 1.069 . . . . 0.0 112.783 -169.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 29.2 p -70.91 -17.98 62.68 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -83.29 -57.82 0.42 Allowed Pre-proline 0 N--CA 1.479 1.005 0 CA-C-O 117.144 -1.407 . . . . 0.0 114.59 -178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.18 112.21 3.19 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 122.391 2.061 . . . . 0.0 112.043 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.829 2.052 . . . . 0.0 113.804 -179.107 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -114.48 141.21 48.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.62 1.168 . . . . 0.0 110.47 173.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.34 159.48 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.923 1.289 . . . . 0.0 110.596 169.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -110.58 148.39 32.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.935 1.294 . . . . 0.0 111.255 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.99 122.67 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.308 1.043 . . . . 0.0 109.119 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.26 134.05 41.84 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.335 1.054 . . . . 0.0 111.739 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.3 p -87.43 168.97 12.65 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.063 1.345 . . . . 0.0 112.373 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -65.28 -24.3 67.27 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.48 -0.763 . . . . 0.0 112.778 169.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.31 -1.71 46.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 173.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.2 10.41 84.82 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.66 1.124 . . . . 0.0 115.184 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.39 143.17 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.839 1.256 . . . . 0.0 109.869 173.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.7 m -107.74 124.92 50.74 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.596 0.758 . . . . 0.0 110.548 171.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mt -101.47 140.71 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.598 1.959 . . . . 0.0 107.959 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.06 132.2 53.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.492 0.717 . . . . 0.0 109.787 171.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -125.9 132.39 52.15 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.986 1.314 . . . . 0.0 111.028 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -88.31 122.27 31.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.618 0.767 . . . . 0.0 109.815 172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.54 161.53 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.481 1.512 . . . . 0.0 111.182 -170.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.76 155.18 43.54 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 124.84 1.256 . . . . 0.0 109.539 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.8 -25.57 61.87 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.439 2.093 . . . . 0.0 114.05 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 p -80.67 -5.68 57.32 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.862 1.665 . . . . 0.0 114.932 175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.66 137.54 57.88 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.202 1.365 . . . . 0.0 111.469 173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -73.24 157.3 37.37 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.601 0.76 . . . . 0.0 111.429 172.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.7 mm -61.92 -31.4 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.484 170.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.96 -41.49 87.6 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.286 -0.883 . . . . 0.0 112.485 171.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -63.9 -38.29 90.55 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.242 -0.911 . . . . 0.0 111.664 172.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.49 -42.19 92.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.309 -0.869 . . . . 0.0 111.112 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -59.84 -41.03 90.51 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.271 0.942 . . . . 0.0 112.208 172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -38.86 87.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.83 0.852 . . . . 0.0 112.588 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.0 -38.43 91.03 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.243 -0.911 . . . . 0.0 112.182 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.18 -41.15 83.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.532 0.733 . . . . 0.0 110.987 172.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.64 -40.59 92.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.105 0.866 . . . . 0.0 111.493 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.39 -34.1 77.51 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -88.5 -41.32 12.81 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.72 -13.26 14.21 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.91 6.0 81.16 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.455 1.026 . . . . 0.0 115.659 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -77.31 124.42 86.99 Favored Pre-proline 0 N--CA 1.477 0.913 0 CA-C-N 118.989 1.395 . . . . 0.0 109.839 -175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.92 135.34 58.79 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 122.948 2.432 . . . . 0.0 112.676 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -53.58 -33.38 68.31 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.824 3.016 . . . . 0.0 114.734 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -66.65 -17.7 64.98 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.493 1.117 . . . . 0.0 113.835 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -107.97 4.08 24.82 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.939 1.695 . . . . 0.0 113.045 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -101.36 131.82 47.23 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.653 1.181 . . . . 0.0 112.128 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -123.23 126.89 47.79 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.154 1.382 . . . . 0.0 108.816 169.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.7 mt -107.69 129.09 55.05 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.793 0.837 . . . . 0.0 109.572 177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.05 137.05 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 125.524 1.53 . . . . 0.0 108.17 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -143.87 135.21 25.83 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 110.164 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.63 35.05 4.04 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.689 1.196 . . . . 0.0 113.925 -176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.96 10.8 85.85 Favored Glycine 0 CA--C 1.534 1.246 0 N-CA-C 116.653 1.421 . . . . 0.0 116.653 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -117.61 131.6 56.64 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.674 1.59 . . . . 0.0 110.213 -176.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -79.45 131.09 35.97 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.463 0.705 . . . . 0.0 109.869 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -92.46 139.23 30.8 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.714 -170.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.93 137.9 45.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.974 1.31 . . . . 0.0 113.092 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.39 -41.68 60.88 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.72 -171.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.99 -4.02 90.59 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.742 1.163 . . . . 0.0 115.362 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -96.17 163.69 12.99 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.199 1.399 . . . . 0.0 110.969 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.75 162.33 16.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.624 1.57 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.7 mt -57.2 -35.53 69.74 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -70.65 -24.36 62.69 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.44 -29.03 69.07 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.961 1.255 . . . . 0.0 111.87 173.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -95.74 5.31 51.69 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.513 1.525 . . . . 0.0 113.499 174.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 54.19 30.48 12.3 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.117 1.767 . . . . 0.0 114.153 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.72 134.07 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 109.275 176.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -129.23 175.44 8.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.111 1.765 . . . . 0.0 111.382 -170.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.64 141.77 15.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.529 0.732 . . . . 0.0 112.546 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.61 19.58 8.17 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.884 1.674 . . . . 0.0 115.117 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -70.24 147.62 49.55 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.076 -1.015 . . . . 0.0 111.537 171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 m -113.65 118.93 35.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.972 0.909 . . . . 0.0 111.213 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.26 152.59 18.71 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.658 1.583 . . . . 0.0 110.511 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -104.32 115.62 30.71 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.432 1.493 . . . . 0.0 109.874 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.3 tp -93.77 117.5 30.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.455 1.102 . . . . 0.0 110.729 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.49 140.43 20.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.326 1.85 . . . . 0.0 109.229 171.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.74 -164.41 2.02 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.044 1.737 . . . . 0.0 110.364 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 60.24 48.27 8.34 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.246 1.418 . . . . 0.0 112.393 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.0 mt -99.85 -115.31 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.807 2.043 . . . . 0.0 108.588 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.93 -59.29 0.28 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.814 0.846 . . . . 0.0 112.505 169.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.99 157.44 11.22 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.111 -1.195 . . . . 0.0 110.111 -168.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-N 119.027 1.414 . . . . 0.0 112.036 -171.76 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.054 0.391 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -115.08 138.69 50.59 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.692 1.197 . . . . 0.0 110.673 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -127.14 158.92 37.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.854 1.261 . . . . 0.0 110.603 169.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -109.42 143.59 38.8 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 124.656 1.182 . . . . 0.0 110.925 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.16 119.74 53.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.383 1.073 . . . . 0.0 109.281 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.0 mttp -94.0 133.31 37.59 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.125 0.97 . . . . 0.0 111.626 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 38.1 p -86.78 170.0 12.11 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.085 1.354 . . . . 0.0 112.455 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.24 -25.26 68.24 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 169.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -84.32 -1.56 55.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.635 1.574 . . . . 0.0 113.91 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.22 10.12 85.16 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.621 1.105 . . . . 0.0 115.069 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -74.78 143.69 43.9 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.769 1.228 . . . . 0.0 109.69 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.9 m -107.97 123.26 48.37 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.438 0.695 . . . . 0.0 110.474 171.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -98.96 140.31 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.453 1.901 . . . . 0.0 108.02 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -106.55 131.46 53.68 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.689 0.677 . . . . 0.0 109.71 171.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.74 132.1 53.4 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.68 1.192 . . . . 0.0 111.157 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -87.89 121.67 30.59 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.657 0.783 . . . . 0.0 109.661 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -148.2 160.48 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.529 1.532 . . . . 0.0 111.04 -170.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.62 155.28 42.44 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.657 1.183 . . . . 0.0 109.619 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.82 -25.65 62.45 Favored 'Trans proline' 0 CA--C 1.543 0.971 0 C-N-CA 122.422 2.082 . . . . 0.0 114.071 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 65.5 p -80.52 -5.83 57.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.803 1.641 . . . . 0.0 114.99 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.7 137.77 58.0 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.131 1.332 . . . . 0.0 111.536 173.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -73.96 157.74 35.65 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.678 0.791 . . . . 0.0 111.512 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.111 -0.993 . . . . 0.0 110.524 169.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.21 -41.49 88.7 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 121.281 -0.887 . . . . 0.0 112.443 170.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.03 -38.28 90.48 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.268 -0.895 . . . . 0.0 111.675 172.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.1 t -65.02 -42.51 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.276 -0.89 . . . . 0.0 111.165 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -59.68 -41.35 90.47 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.095 0.861 . . . . 0.0 112.157 172.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.69 -38.93 87.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.885 0.874 . . . . 0.0 112.611 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -63.66 -38.57 91.62 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 121.269 -0.894 . . . . 0.0 112.09 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.71 -40.5 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.479 0.712 . . . . 0.0 111.127 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.77 -40.34 92.18 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.055 0.843 . . . . 0.0 111.443 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.65 -34.82 79.1 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -87.67 -41.64 13.22 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.79 -13.3 14.18 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.12 5.28 80.47 Favored Glycine 0 CA--C 1.538 1.51 0 N-CA-C 115.645 1.018 . . . . 0.0 115.645 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.2 mt -77.25 123.94 87.06 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.995 1.398 . . . . 0.0 109.668 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -60.5 138.58 81.27 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.943 2.429 . . . . 0.0 112.817 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -54.6 -31.3 69.65 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.661 2.907 . . . . 0.0 114.493 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.39 -18.16 63.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.477 1.111 . . . . 0.0 113.788 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -98.32 -12.74 21.2 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.843 1.257 . . . . 0.0 113.06 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.63 131.91 35.39 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.454 1.101 . . . . 0.0 112.891 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -120.7 122.23 39.99 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.338 169.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.2 mt -109.23 139.12 44.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 110.859 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.56 143.05 41.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.485 1.514 . . . . 0.0 110.352 -177.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -138.0 133.63 33.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.163 1.385 . . . . 0.0 109.496 169.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.55 33.59 5.99 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 -175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.03 -1.09 76.44 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.847 1.213 . . . . 0.0 115.731 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -98.6 132.28 44.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.716 1.606 . . . . 0.0 111.044 177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -77.98 140.63 39.21 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.277 0.631 . . . . 0.0 111.311 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 26.2 mt -102.71 142.55 33.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.821 1.249 . . . . 0.0 112.028 -169.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -111.62 138.09 48.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.933 1.293 . . . . 0.0 112.935 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.07 -42.17 60.4 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.651 1.58 . . . . 0.0 114.694 -171.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.16 -4.06 90.56 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.74 1.162 . . . . 0.0 115.37 -177.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -95.53 163.27 13.29 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.124 1.369 . . . . 0.0 110.983 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.71 162.25 17.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.575 1.55 . . . . 0.0 112.516 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -57.57 -34.97 69.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.546 -0.721 . . . . 0.0 112.903 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.71 -24.55 62.67 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.4 -28.68 68.82 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.947 1.249 . . . . 0.0 111.873 173.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.08 4.96 52.16 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.696 1.598 . . . . 0.0 113.601 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 54.51 30.66 13.38 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.107 1.763 . . . . 0.0 113.917 -174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.45 135.88 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.373 1.069 . . . . 0.0 109.454 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -132.61 174.29 10.44 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.905 1.682 . . . . 0.0 112.166 -169.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -54.81 138.74 41.85 Favored 'General case' 0 CA--C 1.55 0.952 0 O-C-N 121.435 -0.791 . . . . 0.0 113.067 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 60.83 20.06 10.26 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.672 1.989 . . . . 0.0 115.899 -173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -66.82 144.54 56.24 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.754 -1.216 . . . . 0.0 112.178 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.2 m -100.4 118.75 37.28 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.999 0.92 . . . . 0.0 110.855 172.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -100.64 156.22 17.44 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.39 1.476 . . . . 0.0 108.988 169.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -120.57 125.52 48.0 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.353 1.061 . . . . 0.0 109.707 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.69 118.99 37.94 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.367 1.467 . . . . 0.0 110.606 -176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 99.6 t -103.39 144.78 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.444 1.897 . . . . 0.0 108.566 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -116.65 122.7 45.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.636 1.174 . . . . 0.0 109.049 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -66.36 155.24 37.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -52.93 123.36 11.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.831 1.652 . . . . 0.0 112.539 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -74.84 -25.05 58.73 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.808 1.243 . . . . 0.0 113.769 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.76 12.33 77.71 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.658 1.123 . . . . 0.0 114.802 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 C-N-CA 126.095 1.807 . . . . 0.0 112.817 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 23.2 ptm . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.2 t -133.27 138.98 46.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.25 1.42 . . . . 0.0 111.143 169.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -94.34 -52.01 4.54 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.727 1.211 . . . . 0.0 110.831 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.51 -40.39 96.59 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -169.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -69.44 -47.08 65.18 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.157 0.503 . . . . 0.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -39.65 92.85 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.964 1.305 . . . . 0.0 111.708 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -59.94 -55.8 29.54 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.056 0.942 . . . . 0.0 112.317 172.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.32 -38.98 66.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.197 0.599 . . . . 0.0 111.874 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.76 -46.1 86.79 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.766 0.827 . . . . 0.0 112.384 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -44.52 93.16 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.016 0.527 . . . . 0.0 110.97 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mp -58.79 -44.79 90.82 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.199 1.0 . . . . 0.0 111.939 174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -64.65 -47.08 79.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.654 1.181 . . . . 0.0 112.315 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.01 -36.74 80.3 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.825 -1.172 . . . . 0.0 112.296 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.8 t -65.52 -38.97 91.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.094 0.958 . . . . 0.0 112.898 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.74 -34.35 58.09 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.413 -0.805 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -61.63 -49.86 74.86 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 118.607 -0.711 . . . . 0.0 111.45 170.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.6 -48.56 66.22 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.691 0.796 . . . . 0.0 111.322 174.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.24 91.76 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.411 -0.806 . . . . 0.0 113.046 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -65.61 -50.1 66.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.016 0.926 . . . . 0.0 111.119 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.47 -37.09 84.34 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.811 -0.614 . . . . 0.0 112.233 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.92 -45.02 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 119.298 0.954 . . . . 0.0 110.945 173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -60.8 -37.45 82.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 173.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m -61.35 -41.93 97.87 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -62.96 -45.64 91.48 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.831 1.196 . . . . 0.0 111.549 176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.8 -48.26 78.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.236 0.614 . . . . 0.0 112.505 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -63.73 -39.71 94.95 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.716 -0.615 . . . . 0.0 112.485 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.84 -42.76 85.25 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.429 0.691 . . . . 0.0 112.81 178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.56 -32.98 64.46 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.767 1.167 . . . . 0.0 113.131 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -62.7 -48.44 79.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.78 0.718 . . . . 0.0 111.685 171.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -69.35 -29.11 66.84 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.345 -0.847 . . . . 0.0 112.322 178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.96 -52.53 65.01 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.698 1.135 . . . . 0.0 110.69 169.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -50.33 70.02 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.232 0.469 . . . . 0.0 110.587 176.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -52.52 60.34 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.803 0.841 . . . . 0.0 111.072 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.27 -46.64 79.61 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.139 0.976 . . . . 0.0 112.16 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.92 86.32 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.727 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.77 -52.25 63.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.373 0.669 . . . . 0.0 110.601 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.62 82.85 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.345 1.058 . . . . 0.0 112.243 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -77.84 -28.89 50.28 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.301 1.44 . . . . 0.0 112.076 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -66.37 -23.53 66.35 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.711 0.805 . . . . 0.0 111.957 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.17 -46.68 9.07 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.736 1.215 . . . . 0.0 110.947 174.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -68.41 -31.9 71.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.2 1.4 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 5.3 t -137.72 50.25 1.95 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.367 1.467 . . . . 0.0 111.285 -175.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 11.0 t -65.09 -31.14 72.21 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.442 -0.786 . . . . 0.0 112.104 175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -122.59 157.14 60.18 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.818 2.047 . . . . 0.0 112.382 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.0 159.05 51.23 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.291 2.661 . . . . 0.0 112.242 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.251 1.156 0 C-N-CA 126.181 1.792 . . . . 0.0 112.216 -179.376 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.8 141.54 47.73 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.438 1.095 . . . . 0.0 110.478 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.17 160.47 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.792 1.237 . . . . 0.0 110.526 169.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -110.75 148.67 31.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.832 1.253 . . . . 0.0 111.329 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.13 121.68 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 124.252 1.021 . . . . 0.0 109.359 174.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -95.19 134.65 37.69 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.287 1.035 . . . . 0.0 111.821 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 36.4 p -87.5 169.18 12.42 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.008 1.323 . . . . 0.0 112.091 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 mt -66.85 -23.6 66.04 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 121.466 -0.771 . . . . 0.0 112.871 170.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -80.79 -1.6 43.65 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.446 1.499 . . . . 0.0 113.752 173.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.46 10.24 84.77 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.727 1.156 . . . . 0.0 115.157 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -76.41 142.42 41.09 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.849 1.26 . . . . 0.0 109.81 173.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.0 m -108.27 121.11 44.21 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.626 0.77 . . . . 0.0 110.424 172.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.1 mt -96.23 140.93 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 126.545 1.938 . . . . 0.0 108.072 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -108.18 132.09 53.99 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.44 0.696 . . . . 0.0 109.806 170.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.5 mt -125.24 134.18 52.42 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.011 1.325 . . . . 0.0 110.952 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.69 121.55 32.69 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.778 0.831 . . . . 0.0 109.895 173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.53 162.92 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.268 1.427 . . . . 0.0 111.36 -169.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.22 155.62 44.19 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 125.039 1.336 . . . . 0.0 109.405 169.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -56.47 -25.69 59.45 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 122.465 2.11 . . . . 0.0 113.973 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -80.23 -5.96 57.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.756 1.623 . . . . 0.0 115.062 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.57 137.41 57.83 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.17 1.35 . . . . 0.0 111.567 173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.47 157.47 36.76 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.729 0.811 . . . . 0.0 111.393 172.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.09 -31.19 50.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.053 -1.03 . . . . 0.0 110.547 170.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.68 -41.5 86.32 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.367 -0.833 . . . . 0.0 112.403 170.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -64.43 -38.46 91.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.262 -0.899 . . . . 0.0 111.595 172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.1 t -64.67 -42.61 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.178 -0.951 . . . . 0.0 110.992 175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.75 -41.51 91.17 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.157 0.889 . . . . 0.0 112.17 173.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.18 88.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.803 0.841 . . . . 0.0 112.558 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.19 -37.44 87.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.95 0.9 . . . . 0.0 112.166 173.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -68.84 -41.76 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.562 0.745 . . . . 0.0 111.001 172.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.09 -40.26 88.99 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.179 0.9 . . . . 0.0 111.548 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.22 -33.21 75.45 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -90.18 -41.65 11.49 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.35 -13.48 14.6 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.76 5.41 79.06 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.468 1.033 . . . . 0.0 115.622 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 123.34 86.39 Favored Pre-proline 0 N--CA 1.477 0.875 0 CA-C-N 118.95 1.375 . . . . 0.0 109.781 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.89 139.1 83.26 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.935 2.423 . . . . 0.0 112.591 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.93 -33.11 70.78 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.74 2.96 . . . . 0.0 114.76 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.98 -23.6 66.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.164 0.986 . . . . 0.0 113.539 176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -93.63 -9.21 38.73 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.923 1.289 . . . . 0.0 113.099 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -94.18 131.24 39.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.456 1.102 . . . . 0.0 112.448 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -122.34 120.25 33.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.447 1.499 . . . . 0.0 108.566 169.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -103.17 130.87 50.48 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.65 0.78 . . . . 0.0 110.084 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -120.22 137.84 52.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.562 1.545 . . . . 0.0 108.78 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -143.01 136.63 28.63 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.82 1.248 . . . . 0.0 110.137 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.96 30.99 3.01 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.01 79.93 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.913 1.244 . . . . 0.0 115.96 -178.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -118.28 132.58 56.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.683 1.593 . . . . 0.0 110.357 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -78.91 133.04 36.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.097 0.559 . . . . 0.0 109.611 170.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.0 mt -93.06 141.36 28.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.402 1.081 . . . . 0.0 111.83 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.76 138.03 45.73 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.958 1.303 . . . . 0.0 113.234 -169.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.35 -41.74 60.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.601 1.56 . . . . 0.0 114.636 -171.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -3.46 90.66 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.771 1.177 . . . . 0.0 115.267 -177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -96.84 163.18 13.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.218 1.407 . . . . 0.0 110.999 175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -114.64 162.36 16.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.553 1.541 . . . . 0.0 112.406 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.0 -35.96 69.84 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.594 -0.691 . . . . 0.0 112.784 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.9 p -70.39 -24.36 62.93 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -66.31 -29.74 70.01 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.062 1.301 . . . . 0.0 111.771 173.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -94.92 4.73 53.47 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.557 1.543 . . . . 0.0 113.51 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 54.46 29.51 11.24 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.297 1.839 . . . . 0.0 114.106 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.12 133.23 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 124.239 1.016 . . . . 0.0 109.323 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -130.04 175.81 8.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.241 1.816 . . . . 0.0 111.477 -170.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.94 141.74 17.14 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.445 -0.784 . . . . 0.0 112.541 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.36 19.28 7.53 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.868 1.667 . . . . 0.0 115.087 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.9 m -70.6 147.32 49.36 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.04 -1.038 . . . . 0.0 111.483 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 56.5 m -112.32 119.63 38.97 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.812 0.845 . . . . 0.0 111.187 177.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 157.4 15.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.859 1.664 . . . . 0.0 109.923 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -111.87 125.43 54.01 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.657 1.183 . . . . 0.0 110.384 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.0 tp -98.95 111.55 23.92 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.021 1.328 . . . . 0.0 110.538 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.62 145.43 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 126.089 1.756 . . . . 0.0 109.187 169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.71 -169.68 3.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.059 1.744 . . . . 0.0 110.104 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 71.03 -0.13 3.18 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 126.641 1.976 . . . . 0.0 115.921 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.84 -1.19 18.42 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.206 1.403 . . . . 0.0 114.056 173.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 67.72 144.91 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 129.106 2.962 . . . . 0.0 114.384 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.56 -60.08 1.94 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.108 0.861 . . . . 0.0 112.892 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.51 0 C-N-CA 124.782 1.182 . . . . 0.0 112.742 177.102 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.79 138.56 50.6 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.39 1.076 . . . . 0.0 110.494 174.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.4 pt -126.13 159.71 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.784 1.233 . . . . 0.0 110.754 170.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -110.08 144.81 38.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.723 1.209 . . . . 0.0 110.97 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 t -129.63 117.44 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.304 1.042 . . . . 0.0 109.283 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -90.35 132.73 35.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.888 0.875 . . . . 0.0 111.407 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 40.2 p -86.55 169.2 13.0 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.002 1.321 . . . . 0.0 111.991 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.38 -25.44 67.57 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.432 -0.792 . . . . 0.0 112.743 169.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.4 p -79.1 -1.65 36.88 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.125 1.37 . . . . 0.0 113.88 173.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 10.08 85.39 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.765 1.174 . . . . 0.0 114.991 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.58 141.51 41.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.897 1.279 . . . . 0.0 109.652 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.0 m -106.6 115.57 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.364 0.665 . . . . 0.0 110.271 172.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.87 141.0 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.965 1.706 . . . . 0.0 108.111 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 25.4 m -107.78 131.69 54.19 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.593 0.633 . . . . 0.0 109.645 170.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.52 133.82 53.2 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.785 1.234 . . . . 0.0 111.104 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -90.05 121.07 31.78 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.773 0.829 . . . . 0.0 109.828 172.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.5 m -148.14 162.48 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.295 1.438 . . . . 0.0 111.132 -169.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -112.74 155.58 43.78 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.969 1.308 . . . . 0.0 109.438 169.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -56.51 -25.75 60.16 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.424 2.083 . . . . 0.0 114.012 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -80.05 -6.16 57.12 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.755 1.622 . . . . 0.0 115.016 175.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.67 137.6 57.91 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 120.144 1.338 . . . . 0.0 111.506 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -73.57 157.69 36.22 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.722 0.809 . . . . 0.0 111.504 172.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.17 -31.28 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 120.974 -1.078 . . . . 0.0 110.495 169.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.6 -41.58 86.15 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.233 -0.917 . . . . 0.0 112.509 170.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.5 -38.16 90.04 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.176 -0.953 . . . . 0.0 111.666 173.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.43 -42.81 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.191 -0.943 . . . . 0.0 110.928 175.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -60.0 -41.39 92.0 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.063 0.847 . . . . 0.0 112.211 173.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.85 88.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.791 0.837 . . . . 0.0 112.717 176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.36 -37.94 89.29 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.887 0.875 . . . . 0.0 112.09 173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.48 -41.22 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.638 0.775 . . . . 0.0 111.01 172.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.5 -40.46 91.45 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.103 0.865 . . . . 0.0 111.465 175.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.39 -34.73 78.98 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -87.89 -41.44 13.2 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -110.48 -13.03 14.32 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -169.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.95 6.24 81.88 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.371 0.986 . . . . 0.0 115.497 -177.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 27.4 mt -77.2 122.74 86.68 Favored Pre-proline 0 N--CA 1.477 0.902 0 CA-C-N 118.824 1.312 . . . . 0.0 109.698 -175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.8 75.07 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.885 2.39 . . . . 0.0 112.393 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.23 -33.54 75.68 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.617 2.878 . . . . 0.0 114.626 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.92 -20.36 66.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.372 1.069 . . . . 0.0 113.687 176.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -98.41 -4.18 35.24 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.462 1.505 . . . . 0.0 113.208 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -98.51 128.37 44.82 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.57 1.148 . . . . 0.0 112.338 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -119.49 120.83 37.95 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.184 1.394 . . . . 0.0 108.571 169.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.77 131.58 52.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.934 0.894 . . . . 0.0 110.471 -178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.45 142.97 33.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.808 1.643 . . . . 0.0 109.099 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -140.43 134.61 31.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.072 1.349 . . . . 0.0 109.739 169.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.6 32.8 5.24 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.55 0.51 84.3 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.997 1.284 . . . . 0.0 116.076 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -103.24 136.8 42.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.834 1.654 . . . . 0.0 111.321 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -80.77 141.34 34.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.364 0.666 . . . . 0.0 111.587 177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -102.7 146.05 28.79 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.304 1.442 . . . . 0.0 112.013 -171.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -115.69 138.38 51.15 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.908 1.283 . . . . 0.0 113.092 -169.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.31 -43.36 53.69 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.797 1.639 . . . . 0.0 114.768 -170.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.21 -4.11 90.54 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.744 1.164 . . . . 0.0 115.281 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.28 163.09 13.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.107 1.363 . . . . 0.0 110.962 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -114.02 162.01 16.98 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.494 1.517 . . . . 0.0 112.414 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.97 -36.05 69.86 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.576 -0.703 . . . . 0.0 112.721 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.6 p -70.24 -24.43 63.08 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -66.34 -28.85 68.99 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.999 1.272 . . . . 0.0 111.822 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -95.83 4.81 52.53 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.627 1.571 . . . . 0.0 113.345 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 54.14 29.83 11.09 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.979 1.712 . . . . 0.0 114.255 -173.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 95.7 mt -71.61 134.24 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.395 1.078 . . . . 0.0 109.395 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -130.05 178.35 6.61 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.288 1.835 . . . . 0.0 111.016 -170.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -51.47 146.25 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.742 -0.599 . . . . 0.0 112.533 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 62.53 12.3 5.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.8 m -68.49 143.02 55.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.975 -1.078 . . . . 0.0 112.127 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 m -102.38 114.44 28.62 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.843 0.857 . . . . 0.0 110.85 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.32 156.8 16.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.074 1.35 . . . . 0.0 109.121 169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -121.56 118.53 29.49 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.694 1.198 . . . . 0.0 109.431 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 tp -97.41 117.8 32.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.13 1.372 . . . . 0.0 110.588 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.92 137.45 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 126.614 1.966 . . . . 0.0 108.634 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.17 172.43 18.17 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.453 1.501 . . . . 0.0 111.447 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 65.19 160.14 0.12 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 127.609 2.364 . . . . 0.0 114.843 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 tp -155.79 -51.9 0.08 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.845 1.258 . . . . 0.0 112.605 178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -87.22 44.68 1.2 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.279 1.432 . . . . 0.0 113.638 -169.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 29.85 65.14 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.157 0.884 . . . . 0.0 114.984 178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.333 0 C-N-CA 125.406 1.479 . . . . 0.0 114.484 -178.458 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.24 0.066 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t -142.16 139.91 32.25 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.073 1.349 . . . . 0.0 111.317 174.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.98 -46.74 7.02 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.255 1.422 . . . . 0.0 110.561 176.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.0 -39.99 87.25 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.83 -50.46 49.84 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.938 0.399 . . . . 0.0 110.015 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -58.14 -43.44 87.33 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.611 1.164 . . . . 0.0 112.689 176.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -53.14 61.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.934 0.894 . . . . 0.0 112.255 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.69 -34.94 67.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.602 -0.687 . . . . 0.0 112.496 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.01 -46.26 75.04 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.44 1.096 . . . . 0.0 110.336 179.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.06 -48.85 80.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.696 0.799 . . . . 0.0 110.819 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.78 -46.88 83.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.188 0.995 . . . . 0.0 111.846 175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -45.92 92.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.725 1.21 . . . . 0.0 112.708 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.6 mtm -61.03 -39.2 88.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.582 -0.699 . . . . 0.0 111.979 174.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -38.25 90.36 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.966 0.906 . . . . 0.0 113.051 173.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -72.65 -40.51 66.31 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.497 -0.752 . . . . 0.0 111.932 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -59.99 -49.61 76.99 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.097 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -54.47 -47.47 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.619 0.768 . . . . 0.0 111.193 175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.18 -42.85 86.97 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.396 -0.815 . . . . 0.0 112.577 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -68.22 -45.74 72.46 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.592 0.757 . . . . 0.0 112.275 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.81 -32.91 70.15 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 64.9 t -63.71 -47.19 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.723 0.692 . . . . 0.0 110.815 172.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.59 -41.77 95.4 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.613 -0.679 . . . . 0.0 111.855 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -62.6 -44.66 95.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.81 0.844 . . . . 0.0 112.677 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.15 -36.44 69.32 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.1 -1.0 . . . . 0.0 112.002 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.06 -46.62 89.94 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.918 0.781 . . . . 0.0 112.569 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.61 -33.98 74.97 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.007 0.821 . . . . 0.0 112.769 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -66.86 -43.08 84.53 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.562 -0.711 . . . . 0.0 112.46 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -41.09 91.7 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.33 0.968 . . . . 0.0 112.622 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.38 -43.79 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.58 -0.7 . . . . 0.0 112.179 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.54 -40.32 80.78 Favored 'General case' 0 C--N 1.341 0.238 0 O-C-N 121.606 -0.684 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.418 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.0 tm? -53.62 -51.57 62.65 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 119.503 1.047 . . . . 0.0 111.705 173.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.27 -48.35 76.75 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.409 0.55 . . . . 0.0 110.757 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.88 -51.45 67.54 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.184 0.594 . . . . 0.0 112.135 174.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 9.5 mtpp -54.85 -43.69 73.3 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 126.29 1.836 . . . . 0.0 111.506 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.77 -45.04 91.59 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.129 0.571 . . . . 0.0 111.414 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.44 -50.84 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.63 -0.669 . . . . 0.0 110.702 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.72 87.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.272 1.029 . . . . 0.0 112.429 -177.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -75.98 -29.38 58.2 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 125.073 1.349 . . . . 0.0 111.846 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 43.5 m -68.29 -17.4 64.27 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 mt -93.27 -44.26 8.4 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.201 1.4 . . . . 0.0 111.426 172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -68.9 -33.79 74.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.422 1.489 . . . . 0.0 113.427 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.3 m -133.15 42.17 3.06 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.177 1.391 . . . . 0.0 112.294 -171.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.7 t -67.13 -37.94 84.71 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.61 0.764 . . . . 0.0 112.313 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 29.8 mmt85 -80.41 149.57 68.98 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 125.13 1.372 . . . . 0.0 111.714 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.94 144.15 69.22 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.2 2.6 . . . . 0.0 111.858 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.328 1.851 . . . . 0.0 111.906 176.28 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -113.71 141.31 47.41 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.661 1.184 . . . . 0.0 110.653 173.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -129.93 160.1 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.062 1.345 . . . . 0.0 110.608 169.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -111.52 147.6 35.0 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.071 1.348 . . . . 0.0 111.272 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.9 t -132.01 122.19 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.273 1.029 . . . . 0.0 109.266 175.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -97.39 134.5 40.57 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.461 1.104 . . . . 0.0 111.925 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 37.5 p -87.28 168.96 12.72 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.142 1.377 . . . . 0.0 112.107 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.56 -23.99 66.29 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.491 -0.755 . . . . 0.0 112.912 169.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -80.37 -1.77 42.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.474 1.51 . . . . 0.0 113.844 173.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.4 84.32 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.688 1.137 . . . . 0.0 115.086 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.75 142.42 40.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.803 1.241 . . . . 0.0 109.894 173.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -108.47 123.56 49.06 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.647 0.779 . . . . 0.0 110.467 171.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.3 mt -99.41 140.42 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 126.424 1.89 . . . . 0.0 107.99 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -107.72 132.15 53.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.479 0.711 . . . . 0.0 109.829 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -126.34 131.95 51.7 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.003 1.321 . . . . 0.0 111.068 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -87.29 122.92 31.7 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.501 0.72 . . . . 0.0 109.802 171.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.35 161.0 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.487 1.515 . . . . 0.0 111.032 -170.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -111.05 154.71 43.36 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.708 1.203 . . . . 0.0 109.6 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -56.98 -25.47 62.95 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.408 2.072 . . . . 0.0 114.111 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.52 -6.05 57.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.023 1.729 . . . . 0.0 114.982 175.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.42 137.61 57.98 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 120.185 1.357 . . . . 0.0 111.405 173.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.4 p -72.97 157.35 37.59 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.55 0.74 . . . . 0.0 111.376 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -61.74 -31.86 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 O-C-N 121.143 -0.973 . . . . 0.0 110.568 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.08 -41.2 87.45 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.258 -0.902 . . . . 0.0 112.534 171.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -63.84 -38.48 91.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.212 -0.93 . . . . 0.0 111.623 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.3 -41.85 92.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.204 -0.935 . . . . 0.0 111.021 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.29 -40.95 92.29 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 119.166 0.893 . . . . 0.0 112.229 172.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.8 -37.88 85.42 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.777 0.831 . . . . 0.0 112.703 176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -64.1 -39.3 93.75 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.308 -0.87 . . . . 0.0 112.073 172.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 85.1 mt -67.54 -40.91 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.54 0.736 . . . . 0.0 110.961 172.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.56 -41.34 94.38 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.4 -0.812 . . . . 0.0 111.501 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.53 -35.64 81.45 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -85.41 -41.12 15.71 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -111.47 -11.94 14.04 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.26 6.98 84.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.428 1.013 . . . . 0.0 115.396 -176.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.7 mt -77.9 122.59 85.76 Favored Pre-proline 0 N--CA 1.477 0.889 0 CA-C-N 118.77 1.285 . . . . 0.0 109.971 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.22 135.67 59.75 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.744 2.296 . . . . 0.0 112.407 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.73 -33.33 69.64 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.703 2.935 . . . . 0.0 114.739 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -65.33 -20.99 66.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.221 1.008 . . . . 0.0 113.695 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.37 -11.3 32.62 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.859 1.264 . . . . 0.0 113.183 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -93.92 125.62 38.65 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.18 0.992 . . . . 0.0 112.602 -175.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -117.4 120.9 39.58 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.784 1.234 . . . . 0.0 108.337 169.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 mt -103.71 130.95 51.28 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.898 0.879 . . . . 0.0 110.012 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -120.11 137.5 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 125.76 1.624 . . . . 0.0 108.616 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -142.43 136.06 29.12 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.768 1.227 . . . . 0.0 110.105 170.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.57 32.54 3.5 Favored 'General case' 0 CA--C 1.555 1.145 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.85 14.91 76.56 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.937 1.135 . . . . 0.0 115.937 -178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -123.49 133.27 54.05 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.709 1.604 . . . . 0.0 110.506 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -79.86 133.25 36.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.497 0.719 . . . . 0.0 109.635 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.3 139.38 31.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.234 1.014 . . . . 0.0 111.954 -169.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -107.28 138.14 44.03 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.947 1.299 . . . . 0.0 113.085 -169.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.69 -41.54 61.51 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.473 1.509 . . . . 0.0 114.674 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.05 90.59 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.646 1.117 . . . . 0.0 115.322 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -96.0 164.1 12.85 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.203 1.401 . . . . 0.0 110.903 175.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.97 162.4 17.01 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.686 1.595 . . . . 0.0 112.392 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.37 -35.41 69.93 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -70.78 -24.23 62.54 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.43 -29.18 69.26 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.969 1.259 . . . . 0.0 111.914 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -95.47 5.46 51.52 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.571 1.548 . . . . 0.0 113.502 174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 53.85 32.36 14.94 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.033 1.733 . . . . 0.0 113.95 -173.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.71 134.03 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.077 0.951 . . . . 0.0 109.301 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -127.36 175.44 8.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 126.058 1.743 . . . . 0.0 111.598 -171.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.92 142.21 16.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.588 0.755 . . . . 0.0 112.381 176.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 59.55 19.63 8.13 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.884 1.673 . . . . 0.0 115.07 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -70.42 147.43 49.5 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.063 -1.023 . . . . 0.0 111.575 171.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 60.8 m -112.32 121.09 43.89 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.946 0.898 . . . . 0.0 111.115 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.63 155.4 17.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.953 1.701 . . . . 0.0 110.085 174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -111.02 125.64 53.95 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.117 1.367 . . . . 0.0 110.13 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 tp -103.1 116.91 33.41 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.872 1.269 . . . . 0.0 110.935 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.81 133.7 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.428 1.891 . . . . 0.0 109.742 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 pp -162.75 163.45 26.77 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.044 1.738 . . . . 0.0 111.612 177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtm180 -138.66 -89.87 0.21 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.693 1.197 . . . . 0.0 111.106 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -164.21 176.67 8.99 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.008 2.123 . . . . 0.0 110.617 -170.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 64.81 164.44 0.15 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.575 2.35 . . . . 0.0 114.343 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.1 126.03 1.56 Allowed Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.499 1.047 . . . . 0.0 111.716 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.685 0 C-N-CA 125.141 1.353 . . . . 0.0 113.69 -171.295 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -114.85 138.53 50.67 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.697 1.199 . . . . 0.0 110.697 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.2 159.41 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.957 1.303 . . . . 0.0 110.518 169.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -109.85 144.15 38.74 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.599 1.159 . . . . 0.0 110.904 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.56 118.99 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -92.55 133.64 35.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -85.23 168.56 14.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 111.945 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.62 -30.07 71.08 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.425 -0.797 . . . . 0.0 112.088 169.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.6 p -77.17 -2.13 32.9 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.436 1.494 . . . . 0.0 114.156 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.25 10.01 84.28 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.643 1.116 . . . . 0.0 115.204 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -75.59 141.74 42.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.714 1.206 . . . . 0.0 109.697 172.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -106.74 121.35 44.19 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.353 0.661 . . . . 0.0 110.442 172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 mt -96.74 141.4 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 126.429 1.892 . . . . 0.0 108.001 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -107.86 131.83 54.08 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 118.698 0.681 . . . . 0.0 109.81 171.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -125.38 131.57 52.94 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.813 1.245 . . . . 0.0 111.192 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -86.9 122.32 30.61 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.557 0.743 . . . . 0.0 109.645 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.7 m -148.03 160.1 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.516 1.527 . . . . 0.0 110.958 -171.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -110.11 154.7 42.64 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 124.526 1.13 . . . . 0.0 109.57 169.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -56.91 -25.58 62.92 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 122.366 2.044 . . . . 0.0 114.079 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.8 p -80.49 -6.06 57.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.993 1.717 . . . . 0.0 114.91 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.63 137.67 57.96 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 120.142 1.337 . . . . 0.0 111.453 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 68.9 p -73.25 157.39 37.18 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.575 0.75 . . . . 0.0 111.482 172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.83 -31.7 51.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.116 -0.99 . . . . 0.0 110.461 170.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.24 -41.39 88.63 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.272 -0.893 . . . . 0.0 112.478 171.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -63.76 -38.5 91.35 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.189 -0.944 . . . . 0.0 111.659 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.13 -42.07 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.347 -0.846 . . . . 0.0 111.099 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -60.24 -40.75 91.35 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.287 -0.883 . . . . 0.0 112.239 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.07 85.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.78 0.832 . . . . 0.0 112.663 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.79 -39.11 93.46 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.186 -0.946 . . . . 0.0 112.075 172.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.04 -40.39 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.514 0.725 . . . . 0.0 111.036 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.65 -40.86 93.57 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.192 0.906 . . . . 0.0 111.418 174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.87 -35.5 80.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -86.13 -41.6 14.59 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -110.38 -12.4 14.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -169.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.53 83.33 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.476 1.036 . . . . 0.0 115.434 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -79.78 123.87 83.69 Favored Pre-proline 0 N--CA 1.477 0.877 0 CA-C-N 118.841 1.321 . . . . 0.0 110.112 -174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.19 135.7 63.89 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.023 2.482 . . . . 0.0 112.731 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.47 -32.75 64.38 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 123.694 2.929 . . . . 0.0 114.863 179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.56 -21.12 66.15 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.01 -12.6 26.34 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.995 1.318 . . . . 0.0 112.987 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.27 129.35 36.52 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.581 1.153 . . . . 0.0 112.5 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -119.1 122.33 41.84 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.188 1.395 . . . . 0.0 108.402 169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -106.48 128.11 53.83 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.533 0.733 . . . . 0.0 110.191 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -115.88 144.35 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.632 1.573 . . . . 0.0 109.097 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -142.77 133.09 24.75 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.4 1.48 . . . . 0.0 109.59 169.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 34.21 5.6 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.09 -1.16 70.58 Favored Glycine 0 CA--C 1.541 1.702 0 C-N-CA 124.963 1.268 . . . . 0.0 115.977 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -98.9 137.72 37.05 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.797 1.639 . . . . 0.0 111.049 177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.7 140.39 34.35 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.209 0.604 . . . . 0.0 111.28 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.83 144.78 29.37 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 112.097 -172.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -112.95 137.52 51.21 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.0 1.32 . . . . 0.0 112.885 -169.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.79 -42.57 58.15 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.742 1.617 . . . . 0.0 114.785 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.01 -4.32 90.55 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.758 1.171 . . . . 0.0 115.363 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.13 164.06 13.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.215 1.406 . . . . 0.0 110.945 175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.9 p -114.77 162.16 17.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.613 1.565 . . . . 0.0 112.437 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.51 -34.94 69.62 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.99 -24.49 62.41 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 175.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.09 -29.59 69.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 120.019 1.282 . . . . 0.0 111.851 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -94.87 5.09 52.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.518 1.527 . . . . 0.0 113.526 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 53.32 33.6 16.02 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.885 1.674 . . . . 0.0 113.821 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.14 134.34 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.977 0.911 . . . . 0.0 109.407 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -124.38 175.2 7.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.075 1.75 . . . . 0.0 111.495 -173.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -52.19 144.95 11.51 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 60.44 15.84 5.86 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.016 1.727 . . . . 0.0 115.296 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 69.7 m -67.96 143.32 55.67 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.847 174.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.9 m -98.57 120.54 39.18 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.512 0.725 . . . . 0.0 110.928 172.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -101.87 156.52 17.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.377 1.471 . . . . 0.0 108.68 169.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -123.16 115.41 21.74 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.055 0.942 . . . . 0.0 109.537 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.4 tp -91.95 109.96 21.31 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.897 1.279 . . . . 0.0 110.633 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.8 t -93.76 145.61 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.053 2.141 . . . . 0.0 109.397 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -134.88 148.92 50.22 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.719 1.608 . . . . 0.0 110.929 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -82.97 166.08 19.14 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.579 1.152 . . . . 0.0 111.893 171.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -56.92 142.07 42.85 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.704 0.802 . . . . 0.0 112.551 171.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -156.09 135.64 12.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.943 1.297 . . . . 0.0 110.813 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.51 14.55 80.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 115.667 1.027 . . . . 0.0 115.667 175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 125.415 1.483 . . . . 0.0 112.799 -179.672 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 13.4 ttp . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 120.272 0.082 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.7 t -125.7 136.42 53.18 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.931 1.292 . . . . 0.0 110.722 169.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.77 -42.91 8.48 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 124.797 1.239 . . . . 0.0 111.722 175.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.19 -39.87 78.42 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -169.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.76 -49.43 62.55 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 122.882 0.473 . . . . 0.0 109.948 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.1 -43.11 99.54 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.069 1.347 . . . . 0.0 111.99 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -54.39 -63.18 1.23 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.339 1.056 . . . . 0.0 111.528 171.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.14 -39.08 59.43 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.438 1.095 . . . . 0.0 112.482 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.94 -45.56 88.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.781 1.233 . . . . 0.0 112.04 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.13 85.4 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 122.51 0.324 . . . . 0.0 110.578 175.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -46.0 86.16 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 122.038 -0.413 . . . . 0.0 111.208 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -47.91 83.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.328 1.451 . . . . 0.0 112.213 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.12 -41.08 91.89 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.621 -0.674 . . . . 0.0 112.539 172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.9 t -59.78 -39.4 84.78 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.625 0.77 . . . . 0.0 112.556 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -73.54 -40.97 63.58 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.544 -0.723 . . . . 0.0 112.136 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -60.07 -48.4 81.85 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.853 -0.529 . . . . 0.0 111.458 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -57.82 -43.67 85.91 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.293 0.637 . . . . 0.0 111.603 176.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.31 -43.49 92.63 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.48 -0.763 . . . . 0.0 113.035 175.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -64.64 -46.12 83.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.293 0.637 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -68.84 -37.95 79.49 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 118.961 -0.542 . . . . 0.0 112.094 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.78 -47.99 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.203 0.91 . . . . 0.0 110.829 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -60.96 -37.2 81.55 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.956 -0.465 . . . . 0.0 111.583 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 42.4 m -63.11 -41.56 99.38 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.732 -0.651 . . . . 0.0 112.497 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -65.89 -44.48 85.18 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.887 1.221 . . . . 0.0 111.892 174.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -59.99 -43.4 95.19 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -64.86 -40.88 95.84 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.812 -0.555 . . . . 0.0 112.252 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.28 -36.61 81.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -68.06 -44.95 75.2 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.894 0.877 . . . . 0.0 111.633 175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -61.12 -45.53 94.31 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.178 -0.326 . . . . 0.0 111.664 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.24 -36.11 80.95 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.512 -0.743 . . . . 0.0 112.37 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.402 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.1 tm? -58.93 -52.83 64.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.49 1.041 . . . . 0.0 111.316 172.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.45 -49.2 77.01 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 117.888 0.313 . . . . 0.0 110.791 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -52.92 58.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 0.0 111.106 174.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -54.67 -49.77 69.82 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.209 1.004 . . . . 0.0 111.834 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.86 -45.18 78.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.914 1.286 . . . . 0.0 112.124 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.07 -52.16 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.146 -0.971 . . . . 0.0 110.613 173.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.62 78.39 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.892 0.853 . . . . 0.0 111.183 -178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -30.49 69.1 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 126.332 1.853 . . . . 0.0 111.167 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 57.5 m -64.67 -22.55 67.0 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.04 -45.49 8.67 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 171.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -65.36 -39.44 92.34 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.426 1.89 . . . . 0.0 113.337 -172.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.7 m -135.56 45.14 2.47 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.834 1.254 . . . . 0.0 112.318 -169.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 19.4 t -71.38 -39.34 71.26 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.61 -0.681 . . . . 0.0 112.712 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -53.09 0.92 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.055 1.342 . . . . 0.0 114.352 -177.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.83 160.37 37.49 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.755 2.303 . . . . 0.0 112.78 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 58.1 p . . . . . 0 C--O 1.256 1.432 0 C-N-CA 125.661 1.585 . . . . 0.0 114.161 174.463 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -114.09 141.42 47.49 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.602 1.161 . . . . 0.0 110.665 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.47 159.49 41.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.884 1.274 . . . . 0.0 110.575 169.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -110.63 146.96 35.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.875 1.27 . . . . 0.0 111.272 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -132.08 120.19 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.333 1.053 . . . . 0.0 109.336 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -94.57 134.5 37.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.335 1.054 . . . . 0.0 111.854 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.8 p -88.01 169.79 11.67 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.205 1.402 . . . . 0.0 112.204 177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -67.37 -23.56 65.6 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.464 -0.773 . . . . 0.0 113.053 170.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.9 p -80.96 -1.26 42.97 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.479 1.512 . . . . 0.0 113.75 173.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.16 10.48 84.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.688 1.137 . . . . 0.0 115.03 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -76.91 142.87 39.93 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.836 1.255 . . . . 0.0 109.855 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.8 m -108.94 121.27 44.76 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.536 0.735 . . . . 0.0 110.364 171.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.8 mt -96.34 140.99 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 126.428 1.891 . . . . 0.0 108.062 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -108.31 132.23 53.92 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.498 0.719 . . . . 0.0 109.742 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.6 mt -126.19 132.09 51.85 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.001 1.32 . . . . 0.0 111.088 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -87.69 122.48 31.42 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.566 0.746 . . . . 0.0 109.785 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.6 m -148.38 161.29 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.517 1.527 . . . . 0.0 111.16 -170.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.31 155.09 43.3 Favored Pre-proline 0 CA--C 1.542 0.666 0 C-N-CA 124.643 1.177 . . . . 0.0 109.763 169.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.27 -25.26 64.04 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 122.331 2.021 . . . . 0.0 114.101 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.8 p -80.17 -6.76 58.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 114.909 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.44 137.39 57.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.045 1.293 . . . . 0.0 111.606 173.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -72.97 157.43 37.42 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.699 . . . . 0.0 111.351 172.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -61.64 -31.85 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.105 -0.997 . . . . 0.0 110.499 169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.95 -41.41 87.35 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 121.228 -0.92 . . . . 0.0 112.468 171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -64.0 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.263 -0.898 . . . . 0.0 111.569 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.45 -42.21 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.281 -0.887 . . . . 0.0 110.901 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.68 -40.84 93.61 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.054 0.843 . . . . 0.0 112.204 173.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.48 -38.35 87.09 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.673 0.789 . . . . 0.0 112.697 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -63.92 -38.84 92.56 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.309 -0.869 . . . . 0.0 112.162 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.3 mt -68.04 -40.71 83.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.544 0.737 . . . . 0.0 111.035 172.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.79 -40.96 94.58 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.127 0.876 . . . . 0.0 111.264 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.11 -34.32 78.12 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.85 -41.67 13.07 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -110.02 -12.75 14.5 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 6.19 81.56 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.453 1.025 . . . . 0.0 115.402 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.3 mt -77.43 124.18 86.84 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 118.909 1.354 . . . . 0.0 109.889 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.88 134.44 56.97 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.018 2.479 . . . . 0.0 112.458 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.05 -34.65 68.84 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.655 2.903 . . . . 0.0 114.578 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -67.07 -17.81 65.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.281 1.032 . . . . 0.0 113.706 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -99.94 -6.63 26.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.484 1.514 . . . . 0.0 113.467 175.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -93.77 125.08 38.19 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.064 0.946 . . . . 0.0 112.148 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -114.9 124.89 52.87 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.447 1.099 . . . . 0.0 108.476 169.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.9 mt -108.73 131.45 54.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.174 0.99 . . . . 0.0 109.91 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.02 139.13 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.49 1.516 . . . . 0.0 108.637 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -143.45 138.29 29.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.994 1.318 . . . . 0.0 110.134 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.16 29.19 2.45 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.79 15.64 67.37 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.923 1.249 . . . . 0.0 115.7 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -127.7 136.14 51.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.269 1.828 . . . . 0.0 110.703 -177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.65 137.24 34.54 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.552 0.741 . . . . 0.0 110.271 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -96.91 142.26 29.1 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.531 1.132 . . . . 0.0 111.992 -169.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -111.11 137.86 48.25 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.962 1.305 . . . . 0.0 113.212 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -51.21 -42.34 60.88 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.691 1.597 . . . . 0.0 114.698 -171.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.91 -3.61 90.56 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.756 1.17 . . . . 0.0 115.3 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.51 163.56 12.99 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.197 1.399 . . . . 0.0 110.905 175.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -114.26 162.37 16.66 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.496 . . . . 0.0 112.43 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.1 mt -57.26 -35.46 69.77 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.3 p -70.7 -24.36 62.65 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.2 69.31 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.997 1.271 . . . . 0.0 111.917 173.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -95.34 5.35 51.9 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.513 1.525 . . . . 0.0 113.538 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 53.91 31.3 13.09 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.061 1.744 . . . . 0.0 114.069 -173.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -72.31 134.13 30.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.186 0.994 . . . . 0.0 109.332 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.23 175.43 8.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.061 1.744 . . . . 0.0 111.479 -170.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.82 141.96 16.17 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.576 0.751 . . . . 0.0 112.415 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 59.63 19.57 8.18 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.848 1.659 . . . . 0.0 114.992 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 55.8 m -70.28 146.4 50.63 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.084 -1.01 . . . . 0.0 111.616 172.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 83.9 m -110.24 117.4 33.56 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.944 0.898 . . . . 0.0 111.048 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.32 157.06 16.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.019 1.727 . . . . 0.0 109.958 173.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -112.9 125.96 54.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.99 1.316 . . . . 0.0 110.295 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.2 tp -103.51 122.01 44.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.4 1.48 . . . . 0.0 110.845 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.2 t -110.65 135.99 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.479 1.911 . . . . 0.0 109.591 176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -153.86 147.8 25.54 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.43 1.492 . . . . 0.0 111.434 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -151.33 -84.13 0.09 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.912 0.885 . . . . 0.0 112.492 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.5 tp -153.5 94.82 1.84 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.096 1.759 . . . . 0.0 108.938 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.52 -168.43 3.1 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.919 1.288 . . . . 0.0 111.396 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.22 2.83 Favored Glycine 0 N--CA 1.471 1.003 0 C-N-CA 125.505 1.526 . . . . 0.0 113.518 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 123.756 0.693 . . . . 0.0 111.874 174.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -115.06 139.91 49.49 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.68 1.192 . . . . 0.0 110.635 174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.87 159.0 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.842 1.257 . . . . 0.0 110.609 169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -109.75 142.34 41.11 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.516 1.126 . . . . 0.0 111.071 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.15 117.57 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 124.288 1.035 . . . . 0.0 109.176 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -91.2 133.94 34.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.036 0.935 . . . . 0.0 111.43 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.5 p -87.45 169.8 11.92 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.091 1.357 . . . . 0.0 112.127 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -65.4 -26.19 67.88 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.456 -0.777 . . . . 0.0 112.68 169.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.9 p -79.63 -1.34 37.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.231 1.413 . . . . 0.0 113.874 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.83 10.28 85.29 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.586 1.089 . . . . 0.0 114.969 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -76.57 143.34 40.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.923 1.289 . . . . 0.0 109.709 172.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -107.65 119.47 39.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.414 0.686 . . . . 0.0 110.337 171.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -94.12 140.07 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.097 1.759 . . . . 0.0 108.048 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.9 m -106.93 131.35 54.11 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.433 0.693 . . . . 0.0 109.634 171.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -124.92 131.4 53.43 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.706 1.203 . . . . 0.0 111.174 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -87.04 121.74 29.92 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.666 0.786 . . . . 0.0 109.689 171.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -147.96 160.3 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.505 1.522 . . . . 0.0 111.06 -170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -110.49 155.07 42.68 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.553 1.141 . . . . 0.0 109.784 169.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.16 -25.49 64.43 Favored 'Trans proline' 0 CA--C 1.544 1.003 0 C-N-CA 122.253 1.968 . . . . 0.0 114.164 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.5 p -80.31 -6.7 58.37 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.418 1.887 . . . . 0.0 114.771 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.29 137.27 57.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 120.165 1.348 . . . . 0.0 111.586 173.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -72.88 157.56 37.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -62.15 -31.58 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.111 -0.993 . . . . 0.0 110.362 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.08 -41.3 87.66 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.198 -0.939 . . . . 0.0 112.525 171.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -63.93 -38.68 91.96 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.328 -0.857 . . . . 0.0 111.553 172.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.5 -42.15 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.22 -0.925 . . . . 0.0 110.953 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -60.89 -40.61 93.68 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.096 0.862 . . . . 0.0 112.234 173.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.51 -38.41 87.15 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.647 0.779 . . . . 0.0 112.719 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -64.07 -38.8 92.37 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.274 -0.891 . . . . 0.0 112.175 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.95 -40.8 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.527 0.731 . . . . 0.0 110.992 172.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.62 -40.85 93.37 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.153 0.888 . . . . 0.0 111.437 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.4 -34.64 78.79 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -87.32 -41.51 13.59 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -109.95 -12.79 14.52 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 6.47 82.77 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.463 1.03 . . . . 0.0 115.363 -177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 48.7 mt -78.35 122.83 85.65 Favored Pre-proline 0 N--CA 1.478 0.929 0 CA-C-N 118.806 1.303 . . . . 0.0 109.872 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.11 137.19 73.9 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.969 2.446 . . . . 0.0 112.42 177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.22 -33.49 75.32 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.564 2.843 . . . . 0.0 114.572 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -65.01 -20.0 66.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.182 0.993 . . . . 0.0 113.655 175.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -98.65 0.07 43.99 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.702 1.601 . . . . 0.0 113.129 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -103.1 121.28 42.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.225 0.921 . . . . 0.0 112.661 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -111.93 126.74 55.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.989 1.315 . . . . 0.0 108.216 169.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -113.02 131.13 55.9 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.999 0.919 . . . . 0.0 110.288 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.45 142.15 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.287 1.435 . . . . 0.0 109.73 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -140.09 130.46 25.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.658 1.583 . . . . 0.0 109.277 169.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.0 45.32 12.14 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.5 3.8 78.86 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 125.155 1.36 . . . . 0.0 116.133 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -113.51 137.63 51.29 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.787 1.635 . . . . 0.0 111.481 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -83.99 140.21 32.05 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.653 0.781 . . . . 0.0 110.954 174.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 35.9 mt -98.85 141.85 31.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.84 1.256 . . . . 0.0 112.041 -171.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.21 137.67 49.98 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.106 1.363 . . . . 0.0 113.054 -169.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.74 -42.77 57.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.763 1.625 . . . . 0.0 114.779 -170.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.94 90.59 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.713 1.149 . . . . 0.0 115.331 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -95.76 164.24 12.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.251 1.421 . . . . 0.0 110.974 175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 162.04 17.56 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.556 1.542 . . . . 0.0 112.401 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.54 -34.87 69.6 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -70.8 -24.32 62.55 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 175.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -28.72 68.85 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.967 1.258 . . . . 0.0 112.007 173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -96.04 4.65 52.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.613 1.565 . . . . 0.0 113.391 174.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 54.1 31.2 13.35 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 126.042 1.737 . . . . 0.0 114.317 -173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.26 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.354 1.061 . . . . 0.0 109.788 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.75 175.06 9.14 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.051 1.74 . . . . 0.0 111.371 -170.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -49.23 140.46 9.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.02 0.928 . . . . 0.0 112.653 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.31 19.27 7.45 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.874 1.669 . . . . 0.0 114.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.6 m -68.62 145.59 53.79 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.042 -1.036 . . . . 0.0 111.975 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.2 m -103.03 117.55 34.83 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.737 0.815 . . . . 0.0 110.978 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.5 155.62 17.47 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.134 1.374 . . . . 0.0 108.805 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -118.23 125.51 50.29 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.107 0.963 . . . . 0.0 110.499 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.0 tp -98.17 125.83 43.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.441 1.497 . . . . 0.0 110.683 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.14 141.22 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 127.049 2.14 . . . . 0.0 109.235 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.3 mt -99.98 -36.61 9.32 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 46.54 49.42 13.57 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 126.077 1.751 . . . . 0.0 112.038 -177.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.73 120.46 17.35 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.539 0.736 . . . . 0.0 110.875 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -108.97 148.01 31.37 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.991 1.316 . . . . 0.0 112.085 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.1 -163.81 33.01 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.297 1.427 . . . . 0.0 112.92 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.337 0 C-N-CA 125.249 1.404 . . . . 0.0 113.455 175.165 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 19.6 ptm . . . . . 0 N--CA 1.495 1.82 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -141.86 137.12 31.19 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 125.586 1.555 . . . . 0.0 110.324 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.03 -52.04 4.58 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 124.907 1.283 . . . . 0.0 110.939 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.48 -38.56 91.61 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.83 -52.34 20.97 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.14 0.576 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -57.76 -42.7 84.57 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.607 1.163 . . . . 0.0 112.653 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.56 -52.93 63.45 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.964 0.906 . . . . 0.0 112.175 173.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.63 -35.68 68.6 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.603 -0.685 . . . . 0.0 112.26 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -46.47 76.58 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.095 0.958 . . . . 0.0 110.292 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.35 70.31 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.772 0.829 . . . . 0.0 110.729 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.26 -42.47 81.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.554 1.142 . . . . 0.0 112.356 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 -44.32 79.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.271 1.428 . . . . 0.0 113.188 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 74.0 mtm -60.21 -38.27 82.82 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.665 -0.647 . . . . 0.0 111.449 171.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -40.31 91.03 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.492 1.117 . . . . 0.0 112.861 172.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -71.94 -39.76 69.2 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.406 0.682 . . . . 0.0 111.852 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.98 -47.29 85.47 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.865 -0.522 . . . . 0.0 111.606 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.63 -47.12 77.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.147 0.579 . . . . 0.0 111.324 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.25 -40.65 86.64 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.198 -0.939 . . . . 0.0 112.775 176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -48.12 77.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.031 1.332 . . . . 0.0 111.802 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.0 -34.17 68.67 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -64.08 -47.75 88.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 118.632 0.651 . . . . 0.0 110.936 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -61.05 -42.43 98.46 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.942 -0.474 . . . . 0.0 111.532 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 17.3 t -58.27 -48.52 80.2 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.744 0.417 . . . . 0.0 112.118 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -72.42 -32.52 66.4 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.57 -41.99 92.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.611 1.096 . . . . 0.0 112.704 173.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.15 -44.84 87.28 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.548 -0.72 . . . . 0.0 111.882 176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -64.34 -35.83 82.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -66.94 -44.17 81.28 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.173 0.897 . . . . 0.0 112.397 175.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.38 -45.83 92.74 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.321 0.964 . . . . 0.0 111.761 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.39 -40.08 95.1 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.084 0.553 . . . . 0.0 112.04 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.62 -49.8 76.16 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.369 1.068 . . . . 0.0 111.403 172.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -47.96 80.52 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.46 0.704 . . . . 0.0 109.842 -177.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -54.37 -52.56 61.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.355 0.662 . . . . 0.0 111.901 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -58.32 -38.65 77.53 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.927 0.785 . . . . 0.0 112.207 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.37 89.22 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.467 0.707 . . . . 0.0 110.776 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.66 -51.72 66.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.258 0.481 . . . . 0.0 110.269 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.5 89.23 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.988 0.899 . . . . 0.0 111.524 -175.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.57 -21.9 60.22 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 120.167 -1.583 . . . . 0.0 112.862 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 73.4 m -64.63 -34.75 79.02 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.314 -0.866 . . . . 0.0 112.777 170.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.43 -24.55 17.29 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.444 0.697 . . . . 0.0 112.708 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -83.96 -26.51 29.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.301 1.04 . . . . 0.0 113.719 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 2.2 t -131.52 44.55 2.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.203 1.401 . . . . 0.0 112.079 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 26.3 t -78.73 -45.62 20.78 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.406 -0.809 . . . . 0.0 112.209 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -78.01 -54.86 1.24 Allowed Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 125.38 1.472 . . . . 0.0 114.253 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -75.75 165.49 30.1 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 122.621 2.214 . . . . 0.0 112.936 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.253 1.25 0 C-N-CA 125.454 1.502 . . . . 0.0 113.414 178.785 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -114.94 141.46 47.93 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.626 1.171 . . . . 0.0 110.509 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 pt -129.43 159.91 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.855 1.262 . . . . 0.0 110.718 169.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -111.4 148.08 33.83 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.032 1.333 . . . . 0.0 111.28 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.2 t -133.04 121.95 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.064 . . . . 0.0 109.315 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.0 133.15 42.06 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 0.0 111.904 176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -87.29 169.35 12.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.172 1.389 . . . . 0.0 112.239 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.79 -23.52 66.08 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.392 -0.817 . . . . 0.0 113.003 169.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -80.84 -1.49 43.4 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.355 1.462 . . . . 0.0 113.759 172.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.78 10.64 84.88 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.705 1.145 . . . . 0.0 115.043 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -76.82 142.45 40.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.89 1.276 . . . . 0.0 109.792 173.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.3 m -108.68 121.21 44.55 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.497 0.719 . . . . 0.0 110.365 172.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mt -97.05 140.57 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.36 1.864 . . . . 0.0 108.123 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.0 m -107.85 132.1 53.79 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.555 0.742 . . . . 0.0 109.836 171.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.0 mt -125.81 132.66 52.2 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.957 1.303 . . . . 0.0 110.966 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -88.8 121.9 31.65 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.621 0.769 . . . . 0.0 109.933 172.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -148.63 161.88 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.486 1.514 . . . . 0.0 111.242 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -112.25 155.31 43.76 Favored Pre-proline 0 CA--C 1.543 0.71 0 C-N-CA 124.891 1.277 . . . . 0.0 109.559 169.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -56.72 -25.76 62.1 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.419 2.08 . . . . 0.0 114.078 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -80.48 -5.72 57.06 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.797 1.639 . . . . 0.0 114.959 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.47 137.4 57.85 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.246 1.385 . . . . 0.0 111.408 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.9 p -72.86 157.34 37.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.509 0.723 . . . . 0.0 111.404 171.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.4 mm -61.89 -31.72 51.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.141 -0.974 . . . . 0.0 110.509 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.47 -41.42 85.18 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.285 -0.885 . . . . 0.0 112.427 171.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -64.34 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.3 -0.875 . . . . 0.0 111.673 172.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.68 -42.49 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.219 -0.926 . . . . 0.0 111.058 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -60.44 -40.92 92.84 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.001 0.818 . . . . 0.0 112.249 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.64 -38.36 86.72 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.895 0.878 . . . . 0.0 112.635 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -64.33 -38.14 89.97 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.246 -0.909 . . . . 0.0 112.155 173.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 83.8 mt -68.33 -40.82 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.56 0.744 . . . . 0.0 111.052 172.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.22 -41.45 93.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.116 0.871 . . . . 0.0 111.476 174.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.21 -34.68 78.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -87.64 -42.04 12.96 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -109.28 -12.41 14.77 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.05 5.99 81.73 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.479 1.037 . . . . 0.0 115.325 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.31 122.56 86.3 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 118.807 1.304 . . . . 0.0 109.869 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -61.05 135.97 62.36 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.688 2.259 . . . . 0.0 112.253 177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -52.77 -34.02 62.98 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.766 2.977 . . . . 0.0 114.588 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -67.33 -17.12 64.63 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -95.68 -11.13 27.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.025 1.33 . . . . 0.0 113.269 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -93.21 125.97 38.08 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 112.829 -174.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -115.34 118.28 32.8 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.041 1.336 . . . . 0.0 108.253 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -102.3 132.08 48.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.975 0.91 . . . . 0.0 109.839 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.66 137.25 56.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.784 1.634 . . . . 0.0 108.63 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -142.55 135.05 27.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.445 1.098 . . . . 0.0 110.332 170.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.84 4.59 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.863 1.265 . . . . 0.0 114.192 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 9.57 86.47 Favored Glycine 0 CA--C 1.535 1.287 0 N-CA-C 116.681 1.432 . . . . 0.0 116.681 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -116.11 128.92 56.06 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.297 1.439 . . . . 0.0 109.917 -177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -76.99 131.51 38.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 172.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.8 mt -92.15 139.79 30.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 111.9 -169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -107.51 138.16 44.23 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.023 1.329 . . . . 0.0 113.081 -169.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.92 -41.22 61.83 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.449 1.5 . . . . 0.0 114.625 -171.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.17 -3.63 90.63 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.797 1.189 . . . . 0.0 115.274 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.74 163.75 12.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.17 1.388 . . . . 0.0 110.969 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.06 162.29 17.21 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.703 1.601 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.26 -35.48 69.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.5 p -70.61 -24.27 62.71 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.45 -29.15 69.21 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.952 1.251 . . . . 0.0 111.893 173.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -95.56 5.15 52.24 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.502 1.521 . . . . 0.0 113.511 174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 54.31 29.89 11.59 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.16 1.784 . . . . 0.0 114.109 -173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.46 134.2 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 124.33 1.052 . . . . 0.0 109.306 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -130.15 175.59 8.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.188 1.795 . . . . 0.0 111.284 -170.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.71 16.04 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.535 0.734 . . . . 0.0 112.483 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.6 19.76 8.33 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.891 1.676 . . . . 0.0 115.066 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.4 m -70.47 146.74 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.993 -1.067 . . . . 0.0 111.587 171.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.2 m -112.01 118.33 35.14 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.903 0.881 . . . . 0.0 111.16 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.69 154.03 17.42 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.842 1.657 . . . . 0.0 110.227 174.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -106.07 126.64 52.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.202 1.401 . . . . 0.0 109.964 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.89 120.8 43.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.81 1.244 . . . . 0.0 111.015 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.6 t -108.41 134.97 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.489 1.916 . . . . 0.0 109.336 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.08 144.47 20.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.191 1.396 . . . . 0.0 111.774 172.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.43 -52.85 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 124.589 1.156 . . . . 0.0 113.41 169.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.32 166.2 16.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.538 1.135 . . . . 0.0 112.588 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 147.55 23.07 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.303 1.441 . . . . 0.0 111.508 -175.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -79.02 -18.69 74.25 Favored Glycine 0 CA--C 1.536 1.377 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 -173.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.59 0 CA-C-N 118.31 1.055 . . . . 0.0 112.692 177.323 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -115.43 140.37 49.2 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.714 1.206 . . . . 0.0 110.52 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 pt -128.45 159.16 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.975 1.31 . . . . 0.0 110.466 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -109.78 143.7 39.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.676 1.191 . . . . 0.0 110.89 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -128.22 118.9 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.327 1.051 . . . . 0.0 109.198 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -92.41 132.97 36.33 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.026 0.93 . . . . 0.0 111.571 175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.37 170.2 12.23 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.075 1.35 . . . . 0.0 112.133 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.38 -25.76 68.17 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.404 -0.81 . . . . 0.0 112.929 169.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.5 p -81.75 -1.7 48.09 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.479 1.512 . . . . 0.0 113.816 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 10.07 85.34 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.64 1.114 . . . . 0.0 114.971 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.52 143.06 42.69 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.859 1.264 . . . . 0.0 109.694 172.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.2 m -107.61 120.44 42.22 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.439 0.696 . . . . 0.0 110.337 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mt -95.56 140.4 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 126.24 1.816 . . . . 0.0 108.029 173.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -107.12 131.46 54.09 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 118.627 0.648 . . . . 0.0 109.805 171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 77.1 mt -124.74 132.54 53.36 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.743 1.217 . . . . 0.0 111.181 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -88.35 121.42 30.72 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.715 0.806 . . . . 0.0 109.842 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.5 m -148.33 161.34 6.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.467 1.507 . . . . 0.0 111.172 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.66 155.29 43.29 Favored Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 124.896 1.279 . . . . 0.0 109.556 169.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -56.76 -25.72 62.22 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 122.406 2.071 . . . . 0.0 114.063 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -80.28 -5.9 57.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.768 1.627 . . . . 0.0 114.903 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.65 137.58 57.9 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 120.281 1.4 . . . . 0.0 111.498 173.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -73.42 157.56 36.65 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.701 0.8 . . . . 0.0 111.412 172.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 mm -62.13 -31.39 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 O-C-N 121.144 -0.973 . . . . 0.0 110.476 169.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.67 -41.57 86.46 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.136 -0.978 . . . . 0.0 112.471 170.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -64.35 -38.12 89.91 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.254 -0.904 . . . . 0.0 111.671 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 51.1 t -64.6 -42.71 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.213 -0.93 . . . . 0.0 110.974 175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -60.15 -41.25 92.35 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.107 0.867 . . . . 0.0 112.156 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.76 88.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.834 0.853 . . . . 0.0 112.693 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -64.25 -38.21 90.23 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.23 -0.919 . . . . 0.0 112.122 173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 86.5 mt -68.24 -41.13 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.58 0.752 . . . . 0.0 110.976 172.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.55 -40.77 92.81 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.123 0.874 . . . . 0.0 111.417 175.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.38 -34.49 78.43 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.95 -41.69 12.99 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.17 -12.99 14.42 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.9 6.06 81.28 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 124.386 0.993 . . . . 0.0 115.424 -177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 38.7 mt -77.11 122.58 86.51 Favored Pre-proline 0 N--CA 1.477 0.914 0 CA-C-N 118.876 1.338 . . . . 0.0 109.608 -175.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -60.83 137.58 73.6 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.887 2.391 . . . . 0.0 112.402 178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -53.9 -33.79 73.4 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.663 2.909 . . . . 0.0 114.628 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -65.65 -20.46 66.31 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.306 1.042 . . . . 0.0 113.693 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -97.64 -5.7 34.84 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.339 1.456 . . . . 0.0 113.226 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -97.34 127.86 43.67 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.32 1.048 . . . . 0.0 112.417 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.92 122.57 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.322 1.449 . . . . 0.0 108.405 169.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -108.34 137.98 45.39 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.879 0.872 . . . . 0.0 110.632 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.25 141.6 46.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.544 1.538 . . . . 0.0 109.751 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -138.94 134.58 33.36 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.997 1.319 . . . . 0.0 109.756 169.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 37.68 8.26 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.452 1.101 . . . . 0.0 113.776 -176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -0.29 67.87 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 125.023 1.297 . . . . 0.0 116.247 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -103.35 133.91 47.63 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.694 1.597 . . . . 0.0 111.458 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -78.5 140.75 38.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.425 0.69 . . . . 0.0 111.335 177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -102.79 143.39 32.48 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.994 1.317 . . . . 0.0 111.971 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.13 138.51 49.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.977 1.311 . . . . 0.0 113.03 -169.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.74 -42.8 57.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.76 1.624 . . . . 0.0 114.731 -171.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.15 -3.85 90.6 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.795 1.188 . . . . 0.0 115.264 -176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -96.01 163.33 13.17 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.212 1.405 . . . . 0.0 110.931 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -114.47 162.27 16.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.512 1.525 . . . . 0.0 112.431 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 88.0 mt -57.27 -35.27 69.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.889 0.699 . . . . 0.0 112.889 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.5 p -70.82 -24.38 62.54 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 175.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.46 -29.12 69.18 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.968 1.258 . . . . 0.0 111.785 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.49 5.05 52.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.56 1.544 . . . . 0.0 113.511 174.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 53.96 32.07 14.67 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.994 1.717 . . . . 0.0 114.092 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.88 135.65 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.351 1.061 . . . . 0.0 109.491 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.94 176.83 7.73 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.222 1.809 . . . . 0.0 111.473 -170.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -51.1 142.57 12.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 59.64 18.41 7.1 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.909 1.684 . . . . 0.0 115.091 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 70.9 m -68.15 144.38 55.01 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.078 -1.014 . . . . 0.0 111.991 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.3 m -101.84 114.86 29.32 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.877 0.871 . . . . 0.0 110.892 175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -96.65 156.72 16.22 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.068 1.347 . . . . 0.0 109.232 169.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -120.29 124.87 46.66 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.573 1.149 . . . . 0.0 109.667 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 tp -103.42 119.64 39.27 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.238 1.415 . . . . 0.0 110.676 -176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.1 t -105.99 138.88 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.389 1.876 . . . . 0.0 108.91 173.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -154.44 -179.34 7.86 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.043 1.737 . . . . 0.0 110.614 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 55.68 53.1 9.95 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.073 1.349 . . . . 0.0 113.079 170.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mp -75.57 -18.5 59.73 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -112.88 157.25 21.65 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.568 1.547 . . . . 0.0 112.109 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.56 -18.5 0.07 OUTLIER Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.387 0.915 . . . . 0.0 115.387 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.255 0 C-N-CA 125.386 1.469 . . . . 0.0 113.394 175.597 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -139.32 135.59 33.95 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.349 . . . . 0.0 110.506 170.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -94.18 -40.49 9.99 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.69 1.196 . . . . 0.0 111.747 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -65.8 -41.71 91.58 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 118.743 0.701 . . . . 0.0 112.615 -172.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.17 -52.67 31.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.938 0.495 . . . . 0.0 110.143 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -59.96 -42.13 93.41 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.615 1.166 . . . . 0.0 112.754 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -61.05 -55.31 34.2 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.214 0.605 . . . . 0.0 112.55 172.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.3 -36.13 65.86 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . 0.251 31.8 tp -71.43 -43.43 66.73 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 126.646 1.979 . . . . 0.0 110.944 -178.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.13 -48.58 81.09 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.015 0.436 . . . . 0.0 110.991 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.58 -43.99 93.47 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.38 1.072 . . . . 0.0 112.111 176.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.04 -42.96 99.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.246 1.418 . . . . 0.0 112.887 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 77.2 mtm -64.41 -38.85 92.48 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.433 -0.792 . . . . 0.0 111.441 173.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -37.47 86.75 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.877 0.871 . . . . 0.0 113.046 173.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.91 -42.35 66.83 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.956 0.902 . . . . 0.0 111.815 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.12 -46.43 89.08 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.66 -0.65 . . . . 0.0 111.549 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.079 0.552 . . . . 0.0 110.841 173.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -43.65 94.92 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.667 -1.271 . . . . 0.0 113.297 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -66.75 -49.74 64.97 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.359 1.064 . . . . 0.0 111.132 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -36.79 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 118.608 -0.71 . . . . 0.0 111.275 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.64 -45.37 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 119.11 0.868 . . . . 0.0 110.778 177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -60.92 -38.2 84.95 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.088 -0.382 . . . . 0.0 111.804 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -61.19 -45.62 93.84 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.765 -0.636 . . . . 0.0 112.488 173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -61.29 -46.05 91.92 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.854 1.206 . . . . 0.0 111.523 176.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -58.33 -47.81 82.54 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -64.19 -44.91 90.54 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.064 0.546 . . . . 0.0 112.293 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -62.16 -42.36 99.19 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.601 0.761 . . . . 0.0 112.582 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -78.05 -32.69 50.98 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.58 -42.46 95.59 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.586 1.084 . . . . 0.0 111.31 169.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -65.01 -42.95 93.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.18 0.592 . . . . 0.0 110.457 176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.409 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -54.42 -51.06 66.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.157 0.89 . . . . 0.0 112.03 173.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.19 -46.81 79.28 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 110.519 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -51.11 64.13 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.708 -0.62 . . . . 0.0 111.688 173.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -57.87 -41.04 81.61 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.47 1.108 . . . . 0.0 112.099 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.93 83.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.97 0.508 . . . . 0.0 110.871 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.45 -50.42 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.923 -0.486 . . . . 0.0 110.473 173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.8 81.63 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.065 0.946 . . . . 0.0 112.177 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -76.29 -32.58 58.86 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 124.831 1.252 . . . . 0.0 112.023 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -63.77 -25.74 68.32 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.01 0.924 . . . . 0.0 112.111 170.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.61 -42.21 13.63 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.987 1.315 . . . . 0.0 111.761 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -69.47 -53.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.702 1.201 . . . . 0.0 112.422 -173.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -162.38 100.41 1.06 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.429 0.691 . . . . 0.0 111.359 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 28.4 p -88.55 -13.93 38.92 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -77.03 -47.86 2.65 Favored Pre-proline 0 CA--C 1.548 0.903 0 CA-C-O 117.135 -1.412 . . . . 0.0 114.753 -176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.62 166.34 27.39 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.76 2.307 . . . . 0.0 112.733 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.232 1.413 . . . . 0.0 111.988 174.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.697 1.199 . . . . 0.0 110.619 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -129.71 160.13 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.953 1.301 . . . . 0.0 110.587 169.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -111.57 149.22 31.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.01 1.324 . . . . 0.0 111.312 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.15 123.2 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.363 1.065 . . . . 0.0 109.114 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -98.74 133.43 43.06 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.395 1.078 . . . . 0.0 111.709 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.7 p -86.63 169.49 12.67 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.121 1.368 . . . . 0.0 112.379 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -65.72 -23.97 66.87 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.386 -0.821 . . . . 0.0 112.93 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 p -81.55 -1.72 47.3 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.328 1.451 . . . . 0.0 113.899 173.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.18 10.34 84.92 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.72 1.152 . . . . 0.0 115.115 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -76.18 142.84 41.41 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.785 1.234 . . . . 0.0 109.809 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.9 m -108.04 124.75 50.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.548 0.739 . . . . 0.0 110.603 172.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.3 140.89 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.625 1.97 . . . . 0.0 108.004 175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -108.39 132.39 53.8 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.478 0.711 . . . . 0.0 109.889 172.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -126.52 131.78 51.52 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.062 1.345 . . . . 0.0 111.042 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.32 123.03 31.86 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.475 0.71 . . . . 0.0 109.706 171.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -148.47 160.92 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.534 1.534 . . . . 0.0 111.073 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.99 154.74 43.3 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 124.712 1.205 . . . . 0.0 109.582 169.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.95 -25.46 62.57 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 122.464 2.11 . . . . 0.0 114.022 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.7 p -80.66 -6.0 57.75 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.994 1.718 . . . . 0.0 115.102 175.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.29 137.16 57.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 120.095 1.316 . . . . 0.0 111.456 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -72.69 157.25 37.89 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.54 0.736 . . . . 0.0 111.504 172.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.4 mm -61.75 -31.61 51.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.082 -1.011 . . . . 0.0 110.47 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.4 -41.13 88.75 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.314 -0.866 . . . . 0.0 112.498 171.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -63.69 -38.58 91.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.189 -0.944 . . . . 0.0 111.556 172.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.66 -41.57 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 121.213 -0.93 . . . . 0.0 110.998 175.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -60.16 -41.33 92.56 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.282 0.947 . . . . 0.0 112.153 172.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.59 87.93 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.846 0.858 . . . . 0.0 112.675 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.7 -39.06 93.36 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.235 -0.915 . . . . 0.0 112.132 173.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.16 -40.72 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.528 0.731 . . . . 0.0 110.981 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -60.54 -41.07 93.75 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.018 0.826 . . . . 0.0 111.512 175.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.5 -34.9 79.36 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -86.86 -42.18 13.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -109.65 -12.73 14.62 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -169.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.0 5.78 81.02 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 124.386 0.993 . . . . 0.0 115.451 -177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.3 mt -77.12 121.78 85.22 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-N 118.884 1.342 . . . . 0.0 109.712 -176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.66 138.28 74.07 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 122.743 2.296 . . . . 0.0 112.54 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.81 -32.45 66.52 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.686 2.924 . . . . 0.0 114.734 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.02 -18.97 64.86 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.21 -13.58 28.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.679 1.192 . . . . 0.0 113.132 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -91.65 128.39 37.46 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.113 0.965 . . . . 0.0 112.896 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -120.39 118.89 31.53 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.571 1.548 . . . . 0.0 108.469 169.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.9 mt -102.15 129.57 48.55 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.729 0.812 . . . . 0.0 109.739 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -119.36 137.87 51.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 125.538 1.535 . . . . 0.0 108.485 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -141.61 134.08 28.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.457 1.103 . . . . 0.0 110.199 171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 46.63 37.54 4.67 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 125.027 1.331 . . . . 0.0 114.114 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.37 16.16 79.91 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 116.512 1.365 . . . . 0.0 116.512 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -122.92 128.86 50.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.23 1.412 . . . . 0.0 110.084 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.19 131.46 38.26 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.123 0.569 . . . . 0.0 109.611 172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.6 mt -92.61 139.45 30.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 111.773 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -106.57 137.94 43.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.937 1.295 . . . . 0.0 113.003 -169.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.63 -41.41 61.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.509 1.523 . . . . 0.0 114.703 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.06 -3.51 90.67 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.689 1.138 . . . . 0.0 115.378 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -96.87 164.0 12.73 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.225 1.41 . . . . 0.0 110.948 175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -114.85 162.53 16.78 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.602 1.561 . . . . 0.0 112.373 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.41 -35.38 69.98 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.555 -0.716 . . . . 0.0 112.813 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -70.78 -24.43 62.59 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -66.33 -29.49 69.7 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.924 1.238 . . . . 0.0 111.914 173.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -94.87 5.13 52.79 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.532 1.533 . . . . 0.0 113.598 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 53.78 32.11 14.27 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.945 1.698 . . . . 0.0 113.961 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.72 133.99 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.054 0.942 . . . . 0.0 109.232 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -127.27 174.78 8.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.998 1.719 . . . . 0.0 111.506 -171.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -51.39 142.22 13.93 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.71 0.804 . . . . 0.0 112.519 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 59.55 19.83 8.33 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.848 1.659 . . . . 0.0 115.126 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 m -70.77 148.98 47.35 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.084 -1.01 . . . . 0.0 111.563 171.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 54.1 m -115.45 120.51 39.78 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.983 0.913 . . . . 0.0 111.1 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.33 151.28 20.06 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.628 1.571 . . . . 0.0 110.302 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -103.01 116.62 32.87 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.459 1.503 . . . . 0.0 109.522 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.3 tp -96.92 115.51 27.56 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.451 1.1 . . . . 0.0 110.768 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.87 137.72 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 126.328 1.851 . . . . 0.0 109.045 171.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.43 143.1 24.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.519 1.128 . . . . 0.0 111.572 172.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -164.41 161.77 21.72 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.445 1.498 . . . . 0.0 111.801 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tp 53.39 -152.92 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.802 1.641 . . . . 0.0 113.189 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -107.86 154.94 20.83 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.225 1.41 . . . . 0.0 111.852 169.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.01 -21.53 70.78 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 124.18 0.895 . . . . 0.0 114.681 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 C-N-CA 124.917 1.246 . . . . 0.0 112.827 177.583 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -114.55 141.13 48.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.736 1.214 . . . . 0.0 110.586 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.8 pt -129.06 158.89 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.963 1.305 . . . . 0.0 110.391 169.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.49 143.61 38.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.407 1.083 . . . . 0.0 110.969 176.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.86 117.98 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 124.176 0.99 . . . . 0.0 109.238 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -92.25 135.29 34.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.076 0.95 . . . . 0.0 111.711 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 36.9 p -89.02 168.61 12.21 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.065 1.346 . . . . 0.0 111.942 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.35 -26.18 67.92 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.412 -0.805 . . . . 0.0 112.662 169.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 37.2 p -78.58 -1.53 34.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.225 1.41 . . . . 0.0 113.823 173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.65 10.36 84.42 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.728 1.156 . . . . 0.0 114.96 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -77.02 141.95 40.11 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.853 1.261 . . . . 0.0 109.683 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 61.8 m -108.1 119.3 39.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.402 0.681 . . . . 0.0 110.344 171.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 mt -93.91 141.0 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.224 1.809 . . . . 0.0 108.032 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -107.94 131.49 54.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.395 0.678 . . . . 0.0 109.737 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.2 mt -125.27 131.54 53.07 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.623 1.169 . . . . 0.0 111.157 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -86.86 122.19 30.39 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.549 0.74 . . . . 0.0 109.703 171.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.14 159.77 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.587 1.555 . . . . 0.0 110.997 -170.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -109.77 154.68 42.39 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.544 1.137 . . . . 0.0 109.619 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.91 -25.6 63.05 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.519 2.146 . . . . 0.0 114.001 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.48 -6.02 57.51 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.867 1.667 . . . . 0.0 115.093 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.23 136.97 57.69 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 120.295 1.407 . . . . 0.0 111.557 173.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 71.1 p -72.58 157.06 38.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.617 0.767 . . . . 0.0 111.534 172.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.52 -31.88 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.117 -0.989 . . . . 0.0 110.475 170.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -59.31 -41.22 88.51 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.273 -0.892 . . . . 0.0 112.485 171.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -63.55 -38.15 90.02 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.131 -0.98 . . . . 0.0 111.602 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -66.01 -41.59 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 O-C-N 120.995 -1.066 . . . . 0.0 110.905 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -60.03 -41.24 91.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.267 0.939 . . . . 0.0 112.205 172.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.3 86.52 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.654 0.782 . . . . 0.0 112.748 177.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -63.78 -39.16 93.58 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 121.323 -0.861 . . . . 0.0 112.097 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.9 mt -67.98 -40.73 83.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.487 0.715 . . . . 0.0 111.103 173.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.44 -40.94 92.96 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.927 0.785 . . . . 0.0 111.475 174.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.81 -35.83 81.78 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -85.68 -41.63 15.0 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -110.37 -12.64 14.4 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -169.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.03 6.53 82.84 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 124.5 1.048 . . . . 0.0 115.318 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.8 mt -77.71 122.08 85.19 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-N 118.787 1.294 . . . . 0.0 109.816 -175.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.0 137.07 69.54 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.796 2.33 . . . . 0.0 112.463 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -53.77 -31.05 59.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.676 2.917 . . . . 0.0 114.706 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -66.36 -22.63 66.26 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -89.7 -15.83 31.7 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.246 1.019 . . . . 0.0 113.173 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -90.48 127.09 36.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.944 0.898 . . . . 0.0 112.93 -173.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -119.99 118.85 31.76 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.506 1.522 . . . . 0.0 108.197 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 54.9 mt -100.65 127.77 46.93 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.266 0.626 . . . . 0.0 109.767 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -113.53 142.65 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 125.41 1.484 . . . . 0.0 108.686 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -142.39 133.1 25.43 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.237 1.415 . . . . 0.0 109.503 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.31 32.5 6.32 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.46 -0.55 69.02 Favored Glycine 0 CA--C 1.543 1.794 0 C-N-CA 124.604 1.097 . . . . 0.0 115.664 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -98.58 138.58 35.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.858 1.663 . . . . 0.0 110.948 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -82.33 139.21 34.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.4 0.68 . . . . 0.0 111.299 175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.6 mt -99.18 144.31 28.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.13 1.372 . . . . 0.0 111.908 -173.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -112.71 137.94 50.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.073 1.349 . . . . 0.0 113.492 -170.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.69 -42.74 57.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.696 1.599 . . . . 0.0 114.809 -171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.92 -3.9 90.53 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 124.711 1.148 . . . . 0.0 115.325 -176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -96.13 164.33 12.73 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.153 1.381 . . . . 0.0 110.863 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.8 p -115.13 162.08 17.53 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.675 1.59 . . . . 0.0 112.418 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.36 -34.88 69.27 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -71.19 -24.34 62.21 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -66.23 -29.13 69.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.888 1.222 . . . . 0.0 111.794 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.57 5.57 51.18 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.614 1.566 . . . . 0.0 113.502 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 53.52 33.74 16.85 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.859 1.663 . . . . 0.0 113.816 -174.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 97.0 mt -73.55 134.67 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.048 0.939 . . . . 0.0 109.534 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -125.29 175.65 7.3 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.028 1.731 . . . . 0.0 111.621 -172.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -52.18 142.06 17.39 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 59.09 20.26 8.17 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.856 1.662 . . . . 0.0 115.092 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -67.15 143.23 56.72 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.186 -0.946 . . . . 0.0 111.843 171.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 4.0 m -98.48 120.48 38.98 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.589 0.756 . . . . 0.0 110.744 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.28 156.02 17.85 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.543 1.537 . . . . 0.0 108.625 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -123.33 114.2 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.111 0.964 . . . . 0.0 109.15 -171.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 68.4 tp -91.3 111.2 22.59 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.709 1.204 . . . . 0.0 110.559 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.416 HG13 ' CE1' ' C' ' 85' ' ' PHE . 23.3 t -94.76 135.18 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 126.519 1.928 . . . . 0.0 109.29 171.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -156.18 158.44 37.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.418 1.487 . . . . 0.0 111.626 175.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -148.66 -77.86 0.15 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.213 1.005 . . . . 0.0 111.955 172.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -162.1 172.16 16.3 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 127.021 2.129 . . . . 0.0 110.46 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 34.3 ptt85 -105.01 147.15 28.12 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.757 1.223 . . . . 0.0 112.745 171.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.47 -21.15 52.57 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.414 1.007 . . . . 0.0 114.487 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 C-N-CA 125.295 1.426 . . . . 0.0 112.414 172.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 3.5 ppp? . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 121.031 0.443 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.27 83.94 6.47 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 128.328 2.651 . . . . 0.0 109.551 -169.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -93.7 -61.5 1.53 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.649 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.42 -41.98 96.29 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -169.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.29 -51.27 31.6 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.831 0.452 . . . . 0.0 110.643 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -57.27 -43.88 83.47 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.143 0.977 . . . . 0.0 111.975 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . 0.416 ' CE1' HG13 ' B' ' 70' ' ' VAL . 19.7 m-85 -60.32 -64.41 0.96 Allowed 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 117.709 -1.138 . . . . 0.0 112.159 173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -45.93 -34.17 3.74 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.26 0.975 . . . . 0.0 112.533 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.29 -49.5 60.02 Favored 'General case' 0 CA--C 1.521 -0.161 0 C-N-CA 124.177 0.991 . . . . 0.0 111.895 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.04 -51.1 67.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 122.827 0.451 . . . . 0.0 110.349 175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.85 -48.41 78.14 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 176.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -43.98 96.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.246 1.418 . . . . 0.0 112.549 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.8 mtm -60.65 -40.68 92.91 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.72 -0.613 . . . . 0.0 112.021 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -58.24 -42.91 87.42 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.379 0.609 . . . . 0.0 112.3 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -71.92 -40.23 68.93 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.619 -0.676 . . . . 0.0 112.399 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -60.79 -49.34 77.9 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.439 173.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -58.05 -44.1 87.25 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.096 0.558 . . . . 0.0 111.085 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.71 94.37 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -62.89 -50.5 70.65 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.662 0.785 . . . . 0.0 111.876 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.43 -37.64 85.64 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 118.816 -0.612 . . . . 0.0 112.146 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.75 -46.66 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 CA-C-N 119.274 0.943 . . . . 0.0 110.897 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -59.84 -38.69 82.77 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 69.1 m -62.54 -43.15 99.53 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.438 -0.791 . . . . 0.0 112.95 174.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -64.17 -43.38 95.3 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 120.166 1.348 . . . . 0.0 111.545 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.31 -47.04 86.89 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.61 -40.54 84.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.626 -0.671 . . . . 0.0 112.428 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -65.72 -34.0 77.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.372 0.669 . . . . 0.0 112.629 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -75.08 -40.92 59.79 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.352 0.978 . . . . 0.0 113.035 175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.71 -44.66 90.45 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.871 0.759 . . . . 0.0 111.192 171.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -67.4 -42.37 83.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.901 -0.571 . . . . 0.0 112.231 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -55.04 -49.53 71.36 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.978 1.263 . . . . 0.0 111.571 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.0 -47.17 86.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 122.791 0.436 . . . . 0.0 110.334 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -51.24 67.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 118.779 -0.629 . . . . 0.0 111.668 173.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -53.01 -50.41 64.28 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.174 0.989 . . . . 0.0 110.416 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.75 81.63 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.421 1.488 . . . . 0.0 111.827 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 mp -60.42 -52.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 121.514 -0.741 . . . . 0.0 110.452 174.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.67 72.18 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 121.753 0.787 . . . . 0.0 110.988 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' C' ' 119' ' ' ASN . 7.0 pt-20 -65.02 -34.43 78.41 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 126.299 1.839 . . . . 0.0 110.675 -174.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.5 t -58.66 -29.17 66.36 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.992 0.917 . . . . 0.0 112.174 170.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.72 -49.46 7.45 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.188 0.995 . . . . 0.0 111.125 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . 0.427 ' HB2' ' HA ' ' C' ' 116' ' ' GLU . 52.6 m-80 -52.18 -58.33 6.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.983 . . . . 0.0 111.68 -174.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -160.48 -2.9 0.06 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 66.3 m -94.01 9.07 39.08 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -170.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -61.69 154.2 67.36 Favored Pre-proline 0 N--CA 1.48 1.033 0 C-N-CA 124.719 1.208 . . . . 0.0 111.52 169.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.44 120.76 7.92 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.748 2.299 . . . . 0.0 110.758 171.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.599 1.56 . . . . 0.0 112.767 -179.625 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -115.37 139.02 50.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.567 1.147 . . . . 0.0 110.553 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.3 pt -127.08 159.37 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.89 1.276 . . . . 0.0 110.688 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -109.92 148.92 30.69 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.891 1.276 . . . . 0.0 111.134 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.84 120.4 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.303 1.041 . . . . 0.0 109.09 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.71 133.31 38.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.02 0.928 . . . . 0.0 111.67 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.2 p -85.92 169.88 12.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.123 1.369 . . . . 0.0 112.103 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -67.63 -23.04 65.31 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.405 -0.809 . . . . 0.0 113.068 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.38 -1.32 45.07 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.462 1.505 . . . . 0.0 113.73 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.21 10.07 85.24 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.696 1.141 . . . . 0.0 115.021 178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -76.32 142.74 41.18 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.88 1.272 . . . . 0.0 109.747 173.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.2 m -108.22 119.53 39.75 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.446 0.699 . . . . 0.0 110.484 172.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.4 mt -94.08 140.7 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.213 1.805 . . . . 0.0 107.968 173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.8 m -108.1 132.39 53.63 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.43 0.692 . . . . 0.0 109.731 171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.3 mt -125.33 132.65 52.82 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.981 1.313 . . . . 0.0 111.021 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.27 121.09 31.21 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.736 0.814 . . . . 0.0 109.816 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.07 161.67 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.301 1.441 . . . . 0.0 111.208 -169.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -111.79 155.37 43.27 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 124.866 1.267 . . . . 0.0 109.492 169.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -56.71 -25.76 62.02 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.393 2.062 . . . . 0.0 114.1 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.3 p -80.3 -5.84 56.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.942 1.697 . . . . 0.0 114.929 175.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.68 137.0 57.56 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.247 1.385 . . . . 0.0 111.467 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -72.65 157.23 37.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.655 0.782 . . . . 0.0 111.432 172.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -61.94 -31.11 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.122 -0.986 . . . . 0.0 110.479 170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.82 -41.32 86.57 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.254 -0.904 . . . . 0.0 112.422 170.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -64.31 -38.67 91.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.265 -0.897 . . . . 0.0 111.673 172.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.56 -42.78 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.141 -0.974 . . . . 0.0 110.971 175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -60.05 -41.09 91.57 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.356 -0.84 . . . . 0.0 112.271 173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.43 85.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.874 0.87 . . . . 0.0 112.617 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.07 -38.55 91.49 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.203 -0.936 . . . . 0.0 112.03 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.42 -40.86 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.562 0.745 . . . . 0.0 111.022 172.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.47 -40.46 91.33 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.178 0.899 . . . . 0.0 111.513 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.66 -35.11 79.84 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -86.91 -41.6 13.84 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -109.82 -12.82 14.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.08 6.85 83.7 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 124.482 1.039 . . . . 0.0 115.48 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.7 mt -80.13 124.31 82.89 Favored Pre-proline 0 N--CA 1.477 0.883 0 CA-C-N 118.685 1.243 . . . . 0.0 110.214 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.39 136.11 72.24 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.275 2.65 . . . . 0.0 112.647 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.38 -34.71 72.29 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.669 2.913 . . . . 0.0 114.642 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.7 -24.64 67.64 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.092 0.957 . . . . 0.0 113.518 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -94.54 -2.0 52.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.597 1.559 . . . . 0.0 113.33 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -99.79 127.65 45.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.52 1.128 . . . . 0.0 111.83 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -118.45 114.48 22.93 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.956 1.302 . . . . 0.0 108.338 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -96.82 126.48 42.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.457 0.703 . . . . 0.0 109.572 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mp -117.01 138.12 48.69 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.686 1.594 . . . . 0.0 108.284 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.4 t80 -145.59 136.89 24.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.557 1.143 . . . . 0.0 110.36 171.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 34.4 4.32 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.822 1.249 . . . . 0.0 113.897 -176.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.75 10.48 86.15 Favored Glycine 0 CA--C 1.534 1.262 0 N-CA-C 116.487 1.355 . . . . 0.0 116.487 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -117.22 133.05 56.45 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.696 1.598 . . . . 0.0 109.958 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -80.79 130.31 34.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.37 0.668 . . . . 0.0 109.661 174.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.2 mt -91.02 139.68 30.54 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.371 1.069 . . . . 0.0 111.748 -169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.94 138.46 43.06 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.948 1.299 . . . . 0.0 113.343 -169.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -51.7 -41.46 61.47 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.525 1.53 . . . . 0.0 114.557 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.31 -2.73 90.62 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.833 1.206 . . . . 0.0 115.364 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -98.34 163.64 12.62 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.325 1.45 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -114.89 162.22 17.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.617 1.567 . . . . 0.0 112.388 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -56.96 -35.85 69.6 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.583 -0.698 . . . . 0.0 112.812 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.59 -24.32 62.74 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.26 -29.42 69.66 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.985 1.266 . . . . 0.0 111.856 173.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -95.0 5.49 51.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.473 1.509 . . . . 0.0 113.351 174.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 53.65 30.2 10.57 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.971 1.708 . . . . 0.0 113.905 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.51 133.27 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.933 0.893 . . . . 0.0 109.368 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -129.24 176.83 7.62 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.3 1.84 . . . . 0.0 110.96 -171.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -52.53 144.07 14.33 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.471 -0.768 . . . . 0.0 112.792 177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.95 26.34 11.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.379 1.472 . . . . 0.0 114.341 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -77.64 145.98 36.39 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.929 -1.107 . . . . 0.0 110.737 170.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.5 m -112.32 115.91 29.53 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.573 0.749 . . . . 0.0 110.74 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.68 153.59 19.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.374 1.47 . . . . 0.0 109.954 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -107.95 116.39 31.86 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.231 1.412 . . . . 0.0 109.704 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.5 tp -93.72 105.01 17.07 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.109 0.963 . . . . 0.0 110.646 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 75.3 t -86.15 141.96 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 125.278 1.431 . . . . 0.0 109.332 169.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.3 mt -128.75 169.85 14.02 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.301 1.841 . . . . 0.0 110.322 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 58.42 -153.19 0.39 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.739 1.216 . . . . 0.0 111.544 -175.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tt 64.42 -53.48 0.28 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 128.277 2.631 . . . . 0.0 114.674 -171.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.4 ttt-85 -144.19 150.66 38.37 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.808 1.643 . . . . 0.0 111.186 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.74 69.62 0.03 OUTLIER Glycine 0 N--CA 1.473 1.119 0 C-N-CA 124.629 1.109 . . . . 0.0 112.792 175.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.354 0 C-N-CA 124.839 1.209 . . . . 0.0 110.634 -176.521 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -117.59 140.6 49.42 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.662 1.185 . . . . 0.0 110.901 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 pt -129.13 158.9 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.085 1.354 . . . . 0.0 110.528 169.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.85 144.41 35.09 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.528 1.131 . . . . 0.0 111.087 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.3 t -129.22 118.82 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.261 1.024 . . . . 0.0 109.262 174.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -91.38 133.25 35.62 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.918 0.887 . . . . 0.0 111.473 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.5 p -82.91 169.07 16.45 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.674 1.19 . . . . 0.0 111.737 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -61.23 -32.36 72.15 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.484 -0.76 . . . . 0.0 112.084 169.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -76.51 -2.33 31.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.581 1.552 . . . . 0.0 114.18 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 9.73 84.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.704 1.145 . . . . 0.0 115.219 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.98 140.07 45.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.608 1.163 . . . . 0.0 109.552 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 57.6 m -105.97 118.46 36.66 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.35 0.66 . . . . 0.0 110.489 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mt -93.48 140.98 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 126.222 1.809 . . . . 0.0 108.057 173.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.3 m -107.52 131.42 54.34 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.287 0.635 . . . . 0.0 109.669 170.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -123.89 133.41 53.76 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.694 1.197 . . . . 0.0 111.068 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -89.69 120.66 31.16 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.68 0.792 . . . . 0.0 109.909 173.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.3 m -147.85 162.52 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.529 1.531 . . . . 0.0 111.05 -169.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -112.67 155.63 43.64 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 124.989 1.316 . . . . 0.0 109.507 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -56.59 -25.98 62.1 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.458 2.105 . . . . 0.0 114.016 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.6 p -80.64 -5.61 57.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.94 1.696 . . . . 0.0 115.031 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.87 137.25 57.65 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.136 1.334 . . . . 0.0 111.535 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 64.2 p -73.06 157.38 37.44 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.74 0.816 . . . . 0.0 111.521 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.1 mm -61.93 -31.01 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.094 -1.004 . . . . 0.0 110.472 170.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -58.87 -41.53 87.31 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 121.349 -0.845 . . . . 0.0 112.466 170.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -64.47 -38.03 89.59 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.201 -0.937 . . . . 0.0 111.726 173.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.44 -42.93 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.197 -0.939 . . . . 0.0 111.009 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.87 -41.22 91.04 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.055 0.843 . . . . 0.0 112.204 173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.45 86.64 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.912 0.885 . . . . 0.0 112.656 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -64.79 -37.75 88.67 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.212 -0.93 . . . . 0.0 112.133 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -68.54 -40.79 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.57 0.748 . . . . 0.0 110.978 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -60.69 -40.1 90.93 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.175 0.898 . . . . 0.0 111.48 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -65.78 -35.41 80.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -87.43 -41.51 13.5 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -109.69 -12.53 14.63 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.18 6.81 83.91 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.385 0.993 . . . . 0.0 115.46 -177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.3 mt -80.03 123.79 83.32 Favored Pre-proline 0 N--CA 1.477 0.891 0 CA-C-N 118.716 1.258 . . . . 0.0 110.28 -174.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.5 137.02 71.27 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.02 2.48 . . . . 0.0 112.671 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -54.1 -32.28 68.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.748 2.965 . . . . 0.0 114.853 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.37 -19.1 65.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.455 1.102 . . . . 0.0 113.834 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -96.18 -10.13 28.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.006 1.323 . . . . 0.0 112.844 175.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -94.37 126.02 39.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.355 1.062 . . . . 0.0 112.682 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -116.4 119.43 35.64 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.043 1.337 . . . . 0.0 108.188 169.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.87 128.19 49.75 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.428 0.691 . . . . 0.0 110.165 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mp -116.55 142.71 28.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 125.946 1.698 . . . . 0.0 108.778 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -140.86 133.13 28.17 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.185 1.394 . . . . 0.0 109.296 169.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.34 33.39 7.46 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.56 -0.48 69.91 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.934 1.254 . . . . 0.0 115.826 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -99.67 138.44 36.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.919 1.688 . . . . 0.0 111.048 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -82.07 140.64 33.75 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.387 0.675 . . . . 0.0 111.421 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.59 146.23 27.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.162 1.385 . . . . 0.0 112.081 -173.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.41 138.11 51.34 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.987 1.315 . . . . 0.0 113.136 -169.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.25 -42.36 61.0 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.637 1.575 . . . . 0.0 114.727 -170.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.03 -3.87 90.61 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.658 1.123 . . . . 0.0 115.326 -176.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.56 163.44 13.03 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.126 1.37 . . . . 0.0 110.968 175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -114.42 162.2 16.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.551 1.54 . . . . 0.0 112.519 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -56.99 -35.46 69.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.8 p -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.2 -30.52 71.0 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.994 1.27 . . . . 0.0 111.82 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -93.64 3.72 55.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.385 1.474 . . . . 0.0 113.472 174.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 53.03 33.95 15.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.8 1.64 . . . . 0.0 113.679 -173.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -73.17 133.28 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.073 0.949 . . . . 0.0 109.286 175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -123.23 171.63 9.22 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.616 1.567 . . . . 0.0 111.755 -173.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -54.15 140.88 30.88 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 19.31 9.55 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.377 1.871 . . . . 0.0 115.279 -174.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -68.62 148.99 49.68 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.972 -1.08 . . . . 0.0 112.057 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.6 m -104.04 118.25 36.21 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.956 0.902 . . . . 0.0 110.967 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 mp -99.18 160.15 14.48 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.486 1.514 . . . . 0.0 109.097 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -126.43 121.63 32.97 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.485 1.114 . . . . 0.0 109.925 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 66.3 tp -98.41 113.31 25.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.964 1.306 . . . . 0.0 110.899 -174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.32 143.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 127.285 2.234 . . . . 0.0 109.35 173.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 93.3 mt -135.08 53.88 1.96 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.265 1.426 . . . . 0.0 111.674 -170.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 140.69 57.37 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.789 0.836 . . . . 0.0 112.092 -177.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 95.9 mt -145.63 131.31 18.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.761 1.624 . . . . 0.0 111.402 -178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? 53.18 47.37 24.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.353 1.461 . . . . 0.0 112.406 -174.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.26 -9.43 72.47 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.809 1.195 . . . . 0.0 116.063 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.313 0 C-N-CA 125.422 1.487 . . . . 0.0 113.583 -178.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 5.1 ppp? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 7.4 t -134.6 133.89 40.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.732 1.213 . . . . 0.0 110.954 171.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -94.27 -38.68 10.9 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 124.883 1.273 . . . . 0.0 112.194 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.27 -37.91 71.88 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.248 0.931 . . . . 0.0 113.268 -170.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -67.55 -51.54 49.58 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.24 -42.18 90.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.849 1.26 . . . . 0.0 112.679 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.53 -61.83 2.05 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.347 1.059 . . . . 0.0 111.182 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.03 -35.03 59.01 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.525 1.13 . . . . 0.0 113.061 177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -46.74 77.7 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.476 1.511 . . . . 0.0 109.593 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.12 94.86 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.546 0.738 . . . . 0.0 110.532 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mt -64.79 -41.47 95.8 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.717 -0.615 . . . . 0.0 111.198 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -48.88 73.21 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.82 1.648 . . . . 0.0 112.615 178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 21.8 ptp -65.52 -31.07 71.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.029 -1.044 . . . . 0.0 111.918 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 2.5 t -67.17 -43.71 81.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 174.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -32.57 66.0 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.094 -1.004 . . . . 0.0 112.17 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -63.04 -48.99 76.35 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.812 0.733 . . . . 0.0 111.965 170.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.88 -48.26 67.28 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.542 0.737 . . . . 0.0 110.872 173.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.78 -41.01 85.66 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.35 -0.844 . . . . 0.0 113.124 176.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -67.26 -45.44 76.68 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.269 1.027 . . . . 0.0 111.758 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.36 -31.66 65.8 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 62.0 t -67.01 -45.2 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.533 -0.729 . . . . 0.0 110.98 173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -62.54 -40.93 98.38 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.443 -0.785 . . . . 0.0 111.475 174.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 26.6 t -59.36 -48.2 82.53 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.007 0.523 . . . . 0.0 112.05 177.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -74.67 -30.97 61.78 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.59 -44.14 97.57 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.015 0.825 . . . . 0.0 112.256 170.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.21 -39.06 92.3 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.569 -0.707 . . . . 0.0 112.433 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.01 -40.1 94.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.343 0.657 . . . . 0.0 112.667 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.35 -38.31 71.64 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.715 0.806 . . . . 0.0 112.762 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.69 -45.7 88.87 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.359 -0.838 . . . . 0.0 111.858 171.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . 0.543 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 42.1 tt0 -62.05 -39.32 91.95 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.572 -0.705 . . . . 0.0 111.396 175.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.41 ' C ' HD13 ' C' ' 109' ' ' LEU . 3.3 tm? -55.83 -52.77 62.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.493 1.117 . . . . 0.0 111.554 173.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 tp -55.01 -50.17 69.7 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.444 0.565 . . . . 0.0 110.813 176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -57.32 8.5 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.085 0.954 . . . . 0.0 112.181 175.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . 0.543 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 1.2 ptpm? -66.31 -35.09 79.49 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.397 0.679 . . . . 0.0 112.268 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.05 -47.35 85.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.549 0.74 . . . . 0.0 111.32 172.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -59.83 -49.35 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.7 0.682 . . . . 0.0 110.799 172.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.27 86.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.886 0.875 . . . . 0.0 112.424 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -75.95 -30.06 58.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.582 1.553 . . . . 0.0 112.11 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 t -65.02 -25.71 67.96 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.509 0.723 . . . . 0.0 112.297 169.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 mt -85.86 -39.72 16.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.653 1.181 . . . . 0.0 111.404 173.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -77.98 -23.44 48.41 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 114.145 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 23.6 m -131.45 30.22 4.47 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.783 1.233 . . . . 0.0 113.667 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 31.5 p -73.02 168.56 18.79 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.524 1.13 . . . . 0.0 112.851 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 12.1 mtm105 -67.63 -42.11 34.06 Favored Pre-proline 0 N--CA 1.481 1.119 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -80.3 76.43 4.53 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.871 2.381 . . . . 0.0 112.67 -178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.255 1.37 0 C-N-CA 128.213 2.605 . . . . 0.0 114.974 176.197 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.72 141.26 48.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.478 1.111 . . . . 0.0 110.421 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -129.11 159.56 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.859 1.264 . . . . 0.0 110.526 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -109.99 148.33 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.935 1.294 . . . . 0.0 111.237 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.3 120.91 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.332 1.053 . . . . 0.0 109.188 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -94.72 133.82 37.98 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.037 0.935 . . . . 0.0 111.792 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 31.2 p -87.23 170.12 11.73 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.198 1.399 . . . . 0.0 112.114 177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.75 -21.19 63.47 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 171.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 p -81.73 -1.28 46.5 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.49 1.516 . . . . 0.0 113.588 172.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.32 10.38 84.74 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.669 1.128 . . . . 0.0 114.968 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.94 143.23 39.66 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.979 1.312 . . . . 0.0 109.833 173.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -108.5 119.86 40.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.492 0.717 . . . . 0.0 110.383 171.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.0 mt -94.16 140.62 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.283 1.833 . . . . 0.0 107.924 174.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.7 m -108.22 132.26 53.83 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.451 0.701 . . . . 0.0 109.751 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -125.51 133.14 52.48 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.022 1.329 . . . . 0.0 110.993 -178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -89.44 121.79 32.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.746 0.818 . . . . 0.0 109.904 172.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -148.63 162.44 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.279 1.432 . . . . 0.0 111.204 -169.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -112.64 155.56 43.71 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.514 169.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -56.59 -25.67 60.48 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.532 2.155 . . . . 0.0 114.037 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.9 p -80.41 -5.97 57.33 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.89 1.676 . . . . 0.0 114.96 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.46 137.5 57.91 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.209 1.368 . . . . 0.0 111.536 173.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.6 p -73.27 157.33 37.26 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.603 0.761 . . . . 0.0 111.442 172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.15 -31.24 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.133 -0.979 . . . . 0.0 110.507 170.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.61 -41.73 86.53 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.263 -0.898 . . . . 0.0 112.378 170.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -64.04 -38.44 91.06 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.334 -0.853 . . . . 0.0 111.637 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.1 t -64.87 -42.86 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 O-C-N 121.178 -0.951 . . . . 0.0 111.042 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -60.12 -40.69 90.58 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.118 0.872 . . . . 0.0 112.2 173.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.99 87.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.865 0.866 . . . . 0.0 112.617 176.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -63.87 -37.89 89.08 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.951 0.901 . . . . 0.0 112.124 173.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -68.48 -41.67 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 123.613 0.765 . . . . 0.0 110.984 172.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.19 -40.49 90.22 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.122 0.874 . . . . 0.0 111.484 175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.42 -33.74 76.65 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -88.71 -41.1 12.78 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -111.08 -11.39 14.28 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -170.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.69 12.84 74.54 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.429 1.014 . . . . 0.0 115.399 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 46.8 mt -83.86 122.83 76.36 Favored Pre-proline 0 N--CA 1.478 0.965 0 CA-C-N 118.726 1.263 . . . . 0.0 109.371 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -60.14 134.89 58.81 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 122.901 2.401 . . . . 0.0 112.919 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -53.09 -34.12 66.72 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 123.976 3.117 . . . . 0.0 114.99 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -65.43 -16.73 63.93 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.455 1.102 . . . . 0.0 113.897 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -108.74 4.01 23.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.881 1.672 . . . . 0.0 113.031 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -100.6 128.58 46.6 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.709 1.204 . . . . 0.0 111.755 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -117.99 120.08 36.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.288 1.435 . . . . 0.0 108.516 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.5 mt -102.83 128.88 49.41 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.546 0.738 . . . . 0.0 109.824 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mp -119.38 137.24 53.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.426 1.491 . . . . 0.0 108.746 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -144.52 137.17 26.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.845 1.258 . . . . 0.0 110.096 171.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.35 36.84 5.22 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.923 1.289 . . . . 0.0 114.211 -177.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.47 16.86 80.37 Favored Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.341 1.296 . . . . 0.0 116.341 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -124.03 131.71 53.59 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.644 1.577 . . . . 0.0 110.004 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -78.28 132.99 37.72 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 122.934 0.494 . . . . 0.0 109.736 172.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.9 mt -92.82 138.96 31.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.362 1.065 . . . . 0.0 111.517 -170.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -106.2 138.38 42.48 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.906 1.282 . . . . 0.0 113.175 -169.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -51.86 -41.14 61.63 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.431 1.492 . . . . 0.0 114.634 -171.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.43 -3.3 90.67 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.754 1.169 . . . . 0.0 115.278 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -97.28 163.76 12.76 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.246 1.419 . . . . 0.0 110.922 175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -115.08 162.25 17.27 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.646 1.578 . . . . 0.0 112.442 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.0 mt -57.1 -35.73 69.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.593 -0.692 . . . . 0.0 112.865 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 99.0 p -70.48 -24.35 62.84 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.36 -28.88 69.0 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.91 1.232 . . . . 0.0 111.88 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -96.1 5.77 50.34 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.475 1.51 . . . . 0.0 113.344 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 53.71 30.41 11.04 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.908 1.683 . . . . 0.0 113.864 -173.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.93 134.46 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.228 -0.92 . . . . 0.0 109.471 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -130.66 175.65 8.83 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.203 1.801 . . . . 0.0 111.395 -170.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.77 141.6 16.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.544 0.738 . . . . 0.0 112.6 177.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 59.63 19.26 7.88 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.768 1.627 . . . . 0.0 115.14 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -70.48 146.91 49.96 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.106 -0.996 . . . . 0.0 111.478 171.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 55.7 m -112.44 118.49 35.33 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.846 0.859 . . . . 0.0 111.144 177.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -95.19 153.86 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.626 1.571 . . . . 0.0 110.094 173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -105.17 121.95 44.9 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.757 1.223 . . . . 0.0 110.107 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.9 tp -97.47 110.33 22.91 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.468 1.107 . . . . 0.0 110.585 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.0 t -93.67 139.93 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.292 1.437 . . . . 0.0 108.92 169.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 pp -147.89 165.22 31.3 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.794 1.638 . . . . 0.0 110.405 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -123.8 -54.85 1.73 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -145.33 177.89 8.49 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.511 1.924 . . . . 0.0 110.536 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -103.64 175.05 5.61 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 126.306 1.842 . . . . 0.0 109.907 169.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.92 -85.2 0.21 Allowed Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.724 1.154 . . . . 0.0 113.449 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.419 0 C-N-CA 125.711 1.624 . . . . 0.0 113.394 176.865 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -116.79 141.64 47.95 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.679 1.191 . . . . 0.0 111.085 175.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.11 158.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.205 1.402 . . . . 0.0 110.444 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -108.26 148.04 30.55 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.438 1.095 . . . . 0.0 111.136 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.5 t -132.38 118.4 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.32 1.048 . . . . 0.0 109.269 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -90.62 133.3 35.21 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.729 0.812 . . . . 0.0 111.567 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 37.9 p -86.62 168.81 13.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.026 1.33 . . . . 0.0 111.95 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.78 -24.78 66.23 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.337 -0.852 . . . . 0.0 112.552 169.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 36.8 p -77.61 -1.48 31.04 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.899 1.279 . . . . 0.0 113.899 172.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.11 10.29 85.07 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.727 1.156 . . . . 0.0 115.006 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -77.84 141.25 39.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.972 1.309 . . . . 0.0 109.665 173.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 58.9 m -105.89 115.24 29.9 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.367 0.667 . . . . 0.0 110.111 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.39 141.42 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 125.857 1.663 . . . . 0.0 108.091 173.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.8 m -108.68 131.64 54.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.387 0.675 . . . . 0.0 109.556 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 78.3 mt -124.59 133.04 53.41 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.757 1.223 . . . . 0.0 111.039 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -89.02 121.12 31.06 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.677 0.791 . . . . 0.0 109.829 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.44 162.49 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.494 1.518 . . . . 0.0 111.138 -169.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -112.19 155.27 43.77 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.023 1.329 . . . . 0.0 109.419 169.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.59 -25.94 61.81 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 122.502 2.134 . . . . 0.0 114.007 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -80.3 -5.75 56.79 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.888 1.675 . . . . 0.0 115.025 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.64 137.3 57.75 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.147 1.34 . . . . 0.0 111.6 173.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.7 p -73.21 157.47 37.07 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.689 0.796 . . . . 0.0 111.515 172.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.92 -31.58 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.147 -0.971 . . . . 0.0 110.429 170.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.39 -41.53 85.04 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.313 -0.867 . . . . 0.0 112.523 170.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.79 -38.39 90.81 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.228 -0.92 . . . . 0.0 111.744 173.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.29 -43.09 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.235 -0.915 . . . . 0.0 110.922 175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.93 -41.16 91.16 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 118.9 0.773 . . . . 0.0 112.281 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.01 85.11 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.95 0.9 . . . . 0.0 112.715 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -64.44 -38.24 90.32 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.054 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.34 -40.28 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.486 0.714 . . . . 0.0 111.054 172.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.08 -40.12 92.48 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.269 -0.894 . . . . 0.0 111.458 174.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.03 -36.38 83.11 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.89 -41.39 15.0 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -110.99 -11.91 14.27 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.603 1.334 . . . . 0.0 114.603 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.2 7.16 84.46 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 124.463 1.03 . . . . 0.0 115.426 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.7 mt -79.74 124.72 83.36 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.682 1.241 . . . . 0.0 110.599 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -59.66 133.13 49.47 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.196 2.598 . . . . 0.0 112.99 177.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -53.1 -32.26 58.22 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 124.055 3.17 . . . . 0.0 114.983 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -67.11 -22.45 65.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.365 1.066 . . . . 0.0 113.71 177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -96.31 -16.45 21.33 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.319 . . . . 0.0 113.023 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -82.6 130.64 35.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.61 1.164 . . . . 0.0 112.073 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -118.98 114.61 22.82 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.872 1.269 . . . . 0.0 108.426 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 59.6 mt -98.43 129.63 45.05 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.469 0.708 . . . . 0.0 110.036 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -119.54 140.48 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 125.669 1.588 . . . . 0.0 108.908 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -141.89 140.1 32.77 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.625 1.17 . . . . 0.0 109.94 169.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.38 30.25 4.43 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.05 2.48 87.11 Favored Glycine 0 CA--C 1.54 1.653 0 C-N-CA 125.152 1.358 . . . . 0.0 115.85 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -106.6 137.55 44.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.182 1.793 . . . . 0.0 111.335 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -78.29 138.9 38.83 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.215 0.606 . . . . 0.0 111.024 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -100.85 146.25 27.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.864 1.266 . . . . 0.0 112.148 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -113.0 137.71 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.922 1.289 . . . . 0.0 112.81 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.48 -43.14 55.36 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.777 1.631 . . . . 0.0 114.744 -170.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.34 -5.66 89.85 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.705 1.145 . . . . 0.0 115.316 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -92.4 163.52 13.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.972 1.309 . . . . 0.0 110.851 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.1 p -115.05 162.72 16.62 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.495 1.518 . . . . 0.0 112.505 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -57.24 -34.91 69.07 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.58 -0.7 . . . . 0.0 112.826 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -71.94 -24.37 61.61 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 175.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.36 -30.77 71.23 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 120.001 1.273 . . . . 0.0 111.744 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -92.84 4.99 52.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.346 1.458 . . . . 0.0 113.465 173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 52.82 34.61 16.83 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.97 1.708 . . . . 0.0 113.647 -174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 89.3 mt -71.66 125.65 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.854 0.861 . . . . 0.0 109.348 177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -106.48 167.45 9.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.623 1.569 . . . . 0.0 111.549 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -60.35 145.67 46.98 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.55 17.09 8.21 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.172 1.789 . . . . 0.0 115.38 -172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -67.43 147.81 52.39 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.879 -1.138 . . . . 0.0 111.592 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 56.4 m -105.0 118.32 36.22 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.521 0.728 . . . . 0.0 111.145 171.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.31 161.21 14.49 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.092 1.757 . . . . 0.0 109.362 169.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -123.17 118.84 28.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.392 1.077 . . . . 0.0 109.991 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -96.58 111.08 23.35 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.068 1.347 . . . . 0.0 110.391 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -94.91 142.83 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 126.602 1.961 . . . . 0.0 109.171 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.32 136.21 52.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.975 1.31 . . . . 0.0 109.974 173.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -136.62 138.77 41.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.48 1.512 . . . . 0.0 110.705 174.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.0 mt 46.62 61.15 2.92 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.687 1.995 . . . . 0.0 113.79 173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 81.0 mtm180 -70.05 -25.57 63.62 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.85 139.19 26.9 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.953 0.787 . . . . 0.0 112.709 172.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.32 0 C-N-CA 125.164 1.364 . . . . 0.0 113.71 178.53 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -131.68 127.85 37.8 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.492 1.517 . . . . 0.0 109.878 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -94.36 -38.6 10.9 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 124.369 1.068 . . . . 0.0 112.158 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.62 -40.18 76.76 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.734 0.697 . . . . 0.0 112.587 -171.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.07 -45.53 70.09 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.804 0.841 . . . . 0.0 110.364 178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -63.87 -42.57 97.48 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.287 1.035 . . . . 0.0 112.331 177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -61.14 -52.75 63.56 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.468 0.707 . . . . 0.0 112.143 173.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.6 -37.16 65.23 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.232 0.613 . . . . 0.0 112.129 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.1 -46.65 76.88 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 124.153 0.981 . . . . 0.0 111.792 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.73 76.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.362 0.665 . . . . 0.0 110.286 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.31 -43.03 92.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.535 1.134 . . . . 0.0 112.381 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -65.4 -47.34 76.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.855 1.262 . . . . 0.0 112.355 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.7 mtm -59.94 -38.85 83.62 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 121.149 -0.969 . . . . 0.0 111.595 173.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -35.59 81.42 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 175.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.69 -31.37 36.26 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.059 -1.026 . . . . 0.0 112.183 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.11 -47.97 80.53 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.656 -0.653 . . . . 0.0 110.808 169.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -52.97 -48.56 67.31 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.607 0.763 . . . . 0.0 111.234 171.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.82 -44.08 81.67 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.457 -0.777 . . . . 0.0 112.883 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -66.44 -47.67 72.43 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 111.128 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.28 -36.72 74.58 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 63.7 t -62.62 -47.09 94.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.001 -1.062 . . . . 0.0 110.809 175.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -61.07 -40.0 92.02 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.767 -0.635 . . . . 0.0 111.654 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -64.32 -41.96 96.56 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.176 0.898 . . . . 0.0 112.645 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -60.67 -48.77 80.29 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.404 1.002 . . . . 0.0 111.562 175.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.87 -45.06 93.69 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -65.84 -41.43 91.77 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.636 -0.665 . . . . 0.0 112.1 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -62.62 -41.8 99.22 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.033 174.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.55 -43.89 88.52 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.563 1.074 . . . . 0.0 112.671 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.21 -46.57 83.3 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.779 0.718 . . . . 0.0 112.211 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . 0.41 ' HG2' ' HE2' ' C' ' 112' ' ' LYS . 26.1 tt0 -66.31 -36.48 83.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.322 0.649 . . . . 0.0 111.939 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.435 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.8 tm? -60.08 -51.65 68.71 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.86 1.264 . . . . 0.0 111.287 171.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 66.3 tp -56.45 -48.29 77.34 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 119.12 0.873 . . . . 0.0 110.717 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -53.43 54.08 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.088 0.555 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' HG2' ' C' ' 108' ' ' GLU . 23.3 mtmt -55.45 -46.49 76.77 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.05 0.94 . . . . 0.0 112.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.14 82.9 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.726 1.611 . . . . 0.0 111.859 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.01 -52.13 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 121.462 -0.774 . . . . 0.0 110.492 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.31 76.55 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 122.196 0.998 . . . . 0.0 111.161 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -28.11 64.81 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.398 1.879 . . . . 0.0 111.709 -173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 8.3 t -62.86 -29.83 71.05 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.95 0.9 . . . . 0.0 111.961 169.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.61 -45.86 11.33 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.075 1.35 . . . . 0.0 111.638 174.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -67.92 -44.46 76.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.87 1.668 . . . . 0.0 113.307 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -139.93 64.01 1.46 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.995 1.318 . . . . 0.0 111.522 -169.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 p -76.42 13.79 0.89 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 125.099 1.36 . . . . 0.0 114.594 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -122.49 154.77 62.96 Favored Pre-proline 0 N--CA 1.477 0.903 0 C-N-CA 127.793 2.437 . . . . 0.0 112.149 -177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.73 162.75 39.92 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.206 2.604 . . . . 0.0 112.705 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 19.8 t . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.139 1.775 . . . . 0.0 111.317 177.137 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -114.16 143.25 45.12 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.638 1.175 . . . . 0.0 110.56 173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -131.16 159.19 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.952 1.301 . . . . 0.0 110.437 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -108.91 147.67 31.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.907 1.283 . . . . 0.0 111.401 176.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.13 119.96 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.384 1.074 . . . . 0.0 109.156 174.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -92.55 135.43 34.07 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.078 0.951 . . . . 0.0 111.754 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.5 p -89.74 171.3 9.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.332 1.453 . . . . 0.0 112.001 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.2 mt -71.73 -20.36 61.91 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 172.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.6 p -82.49 -0.92 48.69 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.457 1.503 . . . . 0.0 113.516 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.12 10.56 84.71 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.689 1.138 . . . . 0.0 114.807 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -76.82 144.79 38.85 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.048 1.339 . . . . 0.0 109.9 173.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 m -110.98 120.77 43.48 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.542 0.737 . . . . 0.0 110.336 171.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mt -95.92 140.94 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.402 1.881 . . . . 0.0 108.212 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -108.44 132.86 53.35 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.402 0.681 . . . . 0.0 109.824 171.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -126.12 132.69 51.82 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.153 1.381 . . . . 0.0 111.023 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -88.05 122.51 31.72 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.568 0.747 . . . . 0.0 109.776 172.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -148.35 161.86 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.425 1.49 . . . . 0.0 111.178 -170.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -111.94 155.3 43.5 Favored Pre-proline 0 CA--C 1.543 0.675 0 C-N-CA 124.921 1.288 . . . . 0.0 109.629 169.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -57.22 -25.4 64.44 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 122.345 2.03 . . . . 0.0 114.049 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.5 p -80.19 -6.07 57.17 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.234 1.813 . . . . 0.0 115.068 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.49 137.09 57.68 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.123 1.329 . . . . 0.0 111.54 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.5 p -72.69 157.33 37.75 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.629 0.771 . . . . 0.0 111.251 172.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.71 -31.77 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 O-C-N 121.246 -0.909 . . . . 0.0 110.402 169.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.78 -41.38 86.52 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.307 -0.87 . . . . 0.0 112.561 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -63.87 -38.87 92.68 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.238 -0.914 . . . . 0.0 111.53 172.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.87 -42.03 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 121.24 -0.913 . . . . 0.0 111.12 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -60.12 -40.44 89.74 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.145 0.884 . . . . 0.0 112.331 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.21 -40.09 86.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.715 0.806 . . . . 0.0 112.6 176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -63.19 -35.9 81.83 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.966 0.906 . . . . 0.0 112.318 173.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 86.8 mt -70.1 -43.59 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.846 0.858 . . . . 0.0 111.027 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -58.5 -38.41 77.61 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.091 0.86 . . . . 0.0 111.72 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.53 -28.0 68.86 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -97.36 -38.22 9.72 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -112.99 -11.46 13.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.89 7.01 65.06 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 115.739 1.056 . . . . 0.0 115.739 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.8 mt -76.89 124.0 87.48 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 118.951 1.376 . . . . 0.0 109.247 -177.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -58.32 136.59 75.52 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.925 2.417 . . . . 0.0 112.472 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -53.61 -32.34 63.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.555 2.836 . . . . 0.0 114.805 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -65.32 -22.71 66.86 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.401 1.08 . . . . 0.0 113.768 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -94.11 -13.49 26.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.98 1.312 . . . . 0.0 113.141 177.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -88.46 126.2 35.12 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.002 0.921 . . . . 0.0 112.163 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.3 mtt-85 -116.75 119.36 35.21 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.341 1.456 . . . . 0.0 108.127 169.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -101.69 127.89 48.25 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.489 0.715 . . . . 0.0 109.745 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.25 137.48 51.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.376 1.47 . . . . 0.0 108.648 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -144.18 139.09 28.55 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.978 1.311 . . . . 0.0 109.835 171.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.09 27.09 2.36 Favored 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.69 24.13 56.6 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.482 1.039 . . . . 0.0 115.422 -177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -134.08 137.57 44.7 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.41 1.884 . . . . 0.0 109.892 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.13 135.6 34.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.192 0.597 . . . . 0.0 110.109 172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -93.6 140.77 29.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.535 1.134 . . . . 0.0 111.657 -172.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.64 138.31 45.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.021 1.328 . . . . 0.0 113.233 -169.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -51.09 -42.34 60.55 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.651 1.58 . . . . 0.0 114.712 -171.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.26 -4.3 90.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.739 1.161 . . . . 0.0 115.252 -176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -95.49 163.46 13.22 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.202 1.401 . . . . 0.0 110.938 175.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -114.25 162.38 16.64 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.548 1.539 . . . . 0.0 112.417 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.25 -35.55 69.86 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.58 -0.7 . . . . 0.0 112.849 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.8 p -70.84 -24.4 62.52 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 175.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -66.39 -29.16 69.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.004 1.275 . . . . 0.0 111.863 173.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.29 5.38 51.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.574 1.55 . . . . 0.0 113.566 174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 54.21 31.23 13.68 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.949 1.7 . . . . 0.0 114.036 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.4 mt -72.91 133.94 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.226 1.01 . . . . 0.0 109.316 176.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -128.12 175.5 8.37 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.065 1.746 . . . . 0.0 111.471 -170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -51.68 140.89 17.79 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.601 0.761 . . . . 0.0 112.525 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 59.72 18.13 6.96 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.193 1.797 . . . . 0.0 115.15 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.8 m -67.11 148.14 52.24 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.039 -1.038 . . . . 0.0 111.457 171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -113.94 117.0 30.16 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.826 0.85 . . . . 0.0 110.926 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -96.03 157.4 15.91 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 109.857 174.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.4 m80 -113.14 124.25 52.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.643 1.177 . . . . 0.0 110.261 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.5 tp -98.39 112.06 24.2 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.742 1.217 . . . . 0.0 110.474 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.35 141.64 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 125.697 1.599 . . . . 0.0 109.267 169.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -151.88 166.53 31.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.06 1.344 . . . . 0.0 111.194 175.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.08 153.49 50.55 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.815 1.246 . . . . 0.0 112.261 171.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.9 tp 59.99 -53.22 0.08 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 129.095 2.958 . . . . 0.0 116.575 -177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 62.88 158.99 0.07 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 127.893 2.477 . . . . 0.0 113.281 -169.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.04 -149.43 44.35 Favored Glycine 0 CA--C 1.535 1.343 0 O-C-N 121.337 -0.852 . . . . 0.0 111.864 -173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 C-N-CA 124.468 1.032 . . . . 0.0 113.868 178.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -113.91 140.66 48.19 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.638 1.175 . . . . 0.0 110.535 173.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -128.6 158.84 40.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.882 1.273 . . . . 0.0 110.485 169.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -109.48 147.73 32.38 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.632 1.173 . . . . 0.0 111.114 176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.17 118.9 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.314 1.045 . . . . 0.0 109.323 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -92.72 132.37 36.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 111.887 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 31.0 p -86.35 169.6 12.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.141 1.376 . . . . 0.0 111.898 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.26 -4.18 37.55 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 169.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -94.51 1.38 55.71 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.944 1.298 . . . . 0.0 112.921 169.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.1 9.84 85.65 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.754 1.169 . . . . 0.0 114.86 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -79.51 142.38 35.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.824 1.25 . . . . 0.0 109.937 174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.5 m -107.77 119.58 39.83 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.512 0.725 . . . . 0.0 110.199 170.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.46 141.46 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 126.053 1.741 . . . . 0.0 108.205 173.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.3 m -108.92 131.82 54.66 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.479 0.711 . . . . 0.0 109.696 171.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 75.1 mt -125.69 132.4 52.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.935 1.294 . . . . 0.0 111.113 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -87.92 122.25 31.3 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.632 0.773 . . . . 0.0 109.826 171.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.5 m -148.55 161.27 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.476 1.511 . . . . 0.0 111.195 -170.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -111.32 155.26 43.04 Favored Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.797 1.239 . . . . 0.0 109.663 169.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -57.06 -25.26 62.48 Favored 'Trans proline' 0 CA--C 1.544 0.996 0 C-N-CA 122.309 2.006 . . . . 0.0 114.193 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 62.2 p -80.31 -6.02 57.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.175 1.79 . . . . 0.0 114.98 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.52 137.63 57.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.211 1.368 . . . . 0.0 111.493 173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.2 p -73.82 157.56 36.16 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.823 0.849 . . . . 0.0 111.362 172.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.0 -31.54 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 121.198 -0.939 . . . . 0.0 110.286 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.69 -41.7 86.87 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.126 -0.984 . . . . 0.0 112.403 170.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -63.91 -38.3 90.58 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.241 -0.912 . . . . 0.0 111.782 172.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -65.15 -42.99 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 121.181 -0.949 . . . . 0.0 111.054 175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.81 -40.72 89.32 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 119.068 0.849 . . . . 0.0 112.156 173.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -38.35 84.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.963 0.905 . . . . 0.0 112.802 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -64.13 -38.55 91.48 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 121.165 -0.959 . . . . 0.0 111.978 172.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -67.7 -41.3 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.572 0.749 . . . . 0.0 111.001 172.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -60.82 -40.32 92.28 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.395 -0.816 . . . . 0.0 111.648 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.94 -36.18 82.64 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -85.6 -41.54 15.15 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -109.95 -12.39 14.56 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -170.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.98 7.55 84.18 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.424 1.012 . . . . 0.0 115.38 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -80.93 123.9 81.83 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 118.635 1.218 . . . . 0.0 110.452 -173.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.83 134.15 55.35 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.065 2.51 . . . . 0.0 112.817 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -52.8 -32.14 54.73 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.939 3.093 . . . . 0.0 114.902 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -66.62 -22.97 66.11 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.382 1.073 . . . . 0.0 113.753 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -92.65 -14.23 28.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.616 1.166 . . . . 0.0 113.183 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -87.55 130.75 34.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.536 1.134 . . . . 0.0 112.262 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -121.43 115.09 22.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.593 1.557 . . . . 0.0 108.817 169.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.1 mt -99.06 133.57 43.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.279 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.68 139.64 48.9 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.686 1.594 . . . . 0.0 109.298 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -144.01 141.74 30.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.956 1.303 . . . . 0.0 109.984 169.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.1 32.69 4.21 Favored 'General case' 0 CA--C 1.555 1.168 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.24 4.72 86.96 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.091 1.329 . . . . 0.0 115.734 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -111.86 136.75 50.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.022 1.729 . . . . 0.0 111.321 -178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -77.62 137.3 38.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.439 0.696 . . . . 0.0 110.588 174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.3 mt -98.88 144.63 27.86 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.739 1.216 . . . . 0.0 112.106 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -112.17 137.49 50.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.903 1.281 . . . . 0.0 113.203 -169.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.71 -42.69 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.647 1.579 . . . . 0.0 114.799 -170.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.18 -5.17 90.27 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.689 1.137 . . . . 0.0 115.27 -176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -93.6 163.08 13.7 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.039 1.336 . . . . 0.0 110.83 175.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 72.8 p -113.84 162.61 16.13 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.455 1.502 . . . . 0.0 112.498 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -57.35 -35.32 69.78 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -70.93 -24.5 62.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -66.56 -29.74 69.88 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.914 1.234 . . . . 0.0 111.957 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -94.4 5.2 52.52 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.313 1.445 . . . . 0.0 113.648 173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 52.86 34.6 16.91 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.957 1.703 . . . . 0.0 113.899 -174.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.8 mt -72.36 133.85 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.093 0.957 . . . . 0.0 109.874 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -124.56 174.82 7.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.234 1.814 . . . . 0.0 111.331 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -52.67 143.23 16.57 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 59.45 16.94 5.56 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.868 1.667 . . . . 0.0 114.98 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.2 m -66.04 143.18 57.51 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 120.946 -1.097 . . . . 0.0 111.639 171.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 90.6 m -104.86 115.23 29.95 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.2 0.6 . . . . 0.0 110.714 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -90.25 157.12 17.84 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.605 1.562 . . . . 0.0 109.15 169.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -114.84 127.86 55.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.113 0.965 . . . . 0.0 110.242 177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -104.32 104.92 14.89 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.985 1.314 . . . . 0.0 110.672 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.52 143.07 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 125.334 1.454 . . . . 0.0 107.537 169.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.9 mt -120.05 132.45 55.46 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.041 0.936 . . . . 0.0 110.087 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -130.59 128.3 40.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.553 0.741 . . . . 0.0 112.177 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -152.12 54.67 0.82 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.205 1.802 . . . . 0.0 110.619 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 62.84 -56.84 0.15 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 128.608 2.763 . . . . 0.0 114.933 -169.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.03 14.42 73.49 Favored Glycine 0 CA--C 1.542 1.769 0 C-N-CA 124.761 1.172 . . . . 0.0 115.261 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 125.865 1.698 . . . . 0.0 112.979 -178.378 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 21.7 ptm . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 120.942 0.401 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 9.6 t -133.93 139.35 46.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.174 1.39 . . . . 0.0 111.299 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -94.55 -55.05 3.28 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 125.313 1.445 . . . . 0.0 110.175 178.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -61.13 -41.37 96.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -68.18 -45.4 73.54 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.954 -0.466 . . . . 0.0 110.564 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -64.21 -45.37 88.57 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.612 1.165 . . . . 0.0 112.444 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -50.8 71.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.891 0.876 . . . . 0.0 110.53 175.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.74 74.01 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 120.976 -1.078 . . . . 0.0 112.642 175.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.23 -44.78 78.63 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.789 0.835 . . . . 0.0 111.684 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.84 66.45 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.35 0.66 . . . . 0.0 110.14 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.2 84.14 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.034 0.934 . . . . 0.0 112.363 177.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -47.56 82.45 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.413 1.485 . . . . 0.0 112.763 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 73.3 mtm -59.2 -43.51 92.23 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.647 -0.658 . . . . 0.0 111.851 173.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -35.08 75.89 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.023 0.929 . . . . 0.0 112.969 174.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -73.59 -41.69 62.53 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.383 1.073 . . . . 0.0 111.928 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -60.67 -47.97 83.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.967 -0.539 . . . . 0.0 111.008 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.39 -48.64 68.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.617 0.767 . . . . 0.0 111.44 173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.15 88.76 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.382 -0.824 . . . . 0.0 112.826 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -66.17 -47.74 72.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 111.184 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.27 -39.48 86.07 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.861 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.5 -45.9 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 CA-C-N 119.577 1.08 . . . . 0.0 111.382 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -61.1 -39.2 89.07 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.941 -0.474 . . . . 0.0 111.801 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 11.1 t -59.61 -44.17 93.52 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 173.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -61.39 -47.38 86.08 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.332 0.969 . . . . 0.0 111.494 175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.03 -46.82 87.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.03 -43.95 94.03 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.835 -0.54 . . . . 0.0 111.804 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.76 -41.72 98.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.099 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -41.96 91.14 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.65 1.113 . . . . 0.0 113.018 177.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.62 -46.1 84.03 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-N 118.999 0.818 . . . . 0.0 112.009 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -65.74 -42.75 90.59 Favored 'General case' 0 C--N 1.343 0.324 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.442 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.9 tm? -54.36 -50.3 67.79 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 125.143 1.377 . . . . 0.0 112.019 173.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 10.4 tt -55.93 -51.57 67.17 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.411 1.005 . . . . 0.0 110.484 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -54.78 -54.01 47.64 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -54.1 -42.2 69.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.428 1.491 . . . . 0.0 111.702 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.59 80.75 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.988 0.915 . . . . 0.0 110.702 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.07 -50.02 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-N 118.507 0.594 . . . . 0.0 110.831 172.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.05 88.83 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.841 0.746 . . . . 0.0 112.355 -174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.4 -27.93 65.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 120.548 -1.345 . . . . 0.0 111.883 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 50.6 m -71.56 -19.34 62.17 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -98.54 -21.86 16.29 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -86.9 -37.09 17.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 38.8 m -134.12 44.07 2.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 113.109 -169.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 16.6 t -73.8 92.09 2.0 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.294 -0.879 . . . . 0.0 111.577 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -122.47 86.4 48.55 Favored Pre-proline 0 N--CA 1.476 0.865 0 C-N-CA 125.813 1.645 . . . . 0.0 111.059 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -71.87 179.03 5.16 Favored 'Trans proline' 0 CA--C 1.547 1.137 0 C-N-CA 123.508 2.805 . . . . 0.0 112.423 173.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.188 2.195 . . . . 0.0 115.171 178.403 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -114.87 141.38 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.493 1.117 . . . . 0.0 110.415 173.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 pt -128.98 160.19 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.782 1.233 . . . . 0.0 110.625 169.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -110.66 148.73 31.63 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.874 1.27 . . . . 0.0 111.411 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -133.32 121.57 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.439 1.096 . . . . 0.0 109.185 174.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -96.43 134.35 39.71 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.27 1.028 . . . . 0.0 112.006 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.1 p -86.89 169.08 12.83 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.13 1.372 . . . . 0.0 112.053 176.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.38 -25.6 66.86 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.377 -0.827 . . . . 0.0 112.723 170.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 p -79.21 -1.52 36.76 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.443 1.497 . . . . 0.0 113.693 174.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.81 10.12 84.56 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 124.704 1.145 . . . . 0.0 115.108 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -76.52 141.5 41.2 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.725 1.21 . . . . 0.0 109.786 173.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 50.4 m -108.66 119.68 40.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.576 0.75 . . . . 0.0 110.301 172.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -94.18 139.86 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.201 1.801 . . . . 0.0 107.954 174.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.6 m -107.64 131.83 53.97 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.371 0.668 . . . . 0.0 109.692 171.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.7 mt -124.99 133.81 52.85 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.024 1.33 . . . . 0.0 110.954 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -90.68 121.15 32.33 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.69 0.796 . . . . 0.0 109.912 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.1 m -148.3 162.86 5.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.276 1.43 . . . . 0.0 111.42 -169.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -113.08 155.7 43.91 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 125.085 1.354 . . . . 0.0 109.452 169.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.63 -25.59 60.43 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 122.364 2.043 . . . . 0.0 114.037 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.3 p -80.11 -6.0 56.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.802 1.641 . . . . 0.0 114.983 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.89 137.5 57.8 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.192 1.36 . . . . 0.0 111.595 173.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.3 p -73.61 157.48 36.57 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.793 0.837 . . . . 0.0 111.536 172.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.8 mm -62.24 -30.74 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.104 -0.997 . . . . 0.0 110.508 170.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -58.79 -41.47 86.75 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.16 -0.963 . . . . 0.0 112.466 170.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -64.71 -38.61 91.57 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.198 -0.939 . . . . 0.0 111.681 172.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.9 t -64.34 -42.86 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.197 0.908 . . . . 0.0 110.978 175.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -59.54 -41.61 90.44 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.454 -0.779 . . . . 0.0 112.353 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.89 87.93 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.866 0.866 . . . . 0.0 112.561 177.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.8 mttm -64.41 -37.38 87.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.229 -0.919 . . . . 0.0 112.144 173.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.5 mt -68.66 -41.48 82.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.534 0.733 . . . . 0.0 111.041 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.37 -40.25 90.15 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.158 0.89 . . . . 0.0 111.516 175.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.23 -33.38 75.86 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -90.03 -41.15 11.87 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.258 1.206 . . . . 0.0 114.258 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -110.68 -13.21 14.23 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.72 6.07 80.61 Favored Glycine 0 CA--C 1.54 1.619 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.9 mt -78.09 125.57 85.01 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 118.912 1.356 . . . . 0.0 110.018 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -59.59 134.56 58.7 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.072 2.514 . . . . 0.0 113.005 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.41 -31.37 57.34 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.937 3.091 . . . . 0.0 115.011 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -70.36 -26.93 63.96 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -85.55 -25.98 26.43 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.235 1.014 . . . . 0.0 112.728 176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -74.22 136.48 42.74 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.356 1.062 . . . . 0.0 112.678 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -127.53 120.0 27.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.614 1.565 . . . . 0.0 108.913 169.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' C ' HD12 ' A' ' 44' ' ' ILE . 62.7 mt -103.06 129.95 50.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.065 0.946 . . . . 0.0 110.304 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 43' ' ' LEU . 2.7 mp -122.1 140.91 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 126.083 1.753 . . . . 0.0 108.345 -178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -147.34 138.44 23.73 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.721 1.208 . . . . 0.0 110.625 172.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.65 32.77 2.67 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 125.129 1.372 . . . . 0.0 114.593 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.91 20.76 69.82 Favored Glycine 0 CA--C 1.537 1.43 0 N-CA-C 115.849 1.099 . . . . 0.0 115.849 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -129.58 138.11 51.1 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.003 1.721 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -82.5 138.46 34.32 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.11 0.564 . . . . 0.0 110.387 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.7 mt -96.95 142.9 28.36 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.776 1.23 . . . . 0.0 111.706 -172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -112.03 138.3 48.87 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.98 1.312 . . . . 0.0 113.296 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -50.29 -43.21 53.42 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.866 1.667 . . . . 0.0 114.638 -171.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 -3.3 90.66 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.859 1.218 . . . . 0.0 115.295 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -96.75 162.77 13.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.195 1.398 . . . . 0.0 110.939 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -113.77 162.19 16.61 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.498 1.519 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.1 mt -56.97 -36.07 69.9 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 97.2 p -70.3 -24.44 63.02 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -66.32 -29.67 69.92 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.034 1.288 . . . . 0.0 111.857 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -94.87 4.62 53.6 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.548 1.539 . . . . 0.0 113.483 174.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 53.8 30.16 10.86 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.148 1.779 . . . . 0.0 114.067 -173.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.56 133.55 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.186 0.995 . . . . 0.0 109.209 176.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -130.31 175.64 8.78 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.239 1.816 . . . . 0.0 111.275 -170.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -51.67 141.56 16.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.637 0.775 . . . . 0.0 112.533 177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 59.54 19.48 7.97 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.896 1.678 . . . . 0.0 115.093 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.0 m -70.4 146.87 50.1 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 120.979 -1.076 . . . . 0.0 111.514 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.0 m -112.89 115.76 28.95 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.827 0.851 . . . . 0.0 111.276 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mp -92.69 157.56 16.4 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.793 1.637 . . . . 0.0 110.314 174.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -113.3 122.03 46.19 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.646 1.578 . . . . 0.0 109.714 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.2 tp -102.14 115.97 31.67 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.57 1.148 . . . . 0.0 111.089 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.6 t -102.3 152.24 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.575 1.95 . . . . 0.0 108.738 170.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -121.68 150.86 41.15 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.959 0.904 . . . . 0.0 112.344 170.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -140.48 165.31 27.8 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.012 1.325 . . . . 0.0 112.447 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 87.1 mt -76.45 51.65 0.73 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.406 1.883 . . . . 0.0 111.304 170.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -108.7 157.34 18.62 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.816 2.046 . . . . 0.0 110.934 -173.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.74 176.97 38.33 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.523 1.059 . . . . 0.0 112.076 -169.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.547 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -169.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -115.28 138.79 50.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.483 1.113 . . . . 0.0 110.664 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 pt -124.5 157.71 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.813 1.245 . . . . 0.0 110.737 169.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.14 147.56 28.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.205 1.002 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.06 117.93 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.346 1.058 . . . . 0.0 109.16 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -92.61 133.57 35.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.963 0.905 . . . . 0.0 111.508 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.0 p -83.05 169.05 16.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.703 1.201 . . . . 0.0 112.08 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.77 -32.29 71.61 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.491 -0.756 . . . . 0.0 112.278 169.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 35.9 p -77.39 -2.45 35.19 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.831 1.653 . . . . 0.0 114.23 175.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.85 9.65 84.17 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.647 1.118 . . . . 0.0 115.292 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -74.22 140.5 45.11 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.56 1.18 . . . . 0.0 109.573 171.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.8 m -106.34 119.75 40.06 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.298 0.639 . . . . 0.0 110.454 173.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.2 mt -95.24 141.82 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 126.208 1.803 . . . . 0.0 108.041 173.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.7 m -109.19 131.82 54.7 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.418 0.687 . . . . 0.0 109.661 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -124.25 134.47 53.23 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.746 1.218 . . . . 0.0 111.04 -178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -90.31 119.94 31.03 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.634 0.774 . . . . 0.0 109.906 173.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -147.88 163.71 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.522 1.529 . . . . 0.0 111.179 -169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.31 156.13 43.57 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.132 1.373 . . . . 0.0 109.408 169.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -56.56 -26.17 62.76 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.467 2.112 . . . . 0.0 113.926 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.4 p -80.37 -5.72 56.88 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.87 1.668 . . . . 0.0 114.979 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.92 137.6 57.85 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.22 1.373 . . . . 0.0 111.552 173.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -73.3 157.48 36.96 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.744 0.818 . . . . 0.0 111.575 172.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 41.3 mm -62.09 -31.02 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.185 -0.947 . . . . 0.0 110.467 170.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.69 -41.55 86.49 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.131 -0.98 . . . . 0.0 112.554 170.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -65.02 -38.24 90.27 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.92 -43.31 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 O-C-N 121.253 -0.905 . . . . 0.0 110.903 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -59.68 -41.9 91.72 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.426 -0.797 . . . . 0.0 112.169 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.22 87.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.858 0.863 . . . . 0.0 112.642 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -65.09 -38.29 90.25 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.898 0.879 . . . . 0.0 112.08 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.76 -40.59 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.539 0.736 . . . . 0.0 111.028 172.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -61.57 -39.99 93.14 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.355 -0.841 . . . . 0.0 111.549 174.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -65.82 -36.26 82.99 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -85.83 -42.0 14.52 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -111.7 -11.61 13.97 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -169.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.75 7.46 83.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.372 0.986 . . . . 0.0 115.468 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.5 mt -78.67 125.4 84.4 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 118.771 1.286 . . . . 0.0 110.3 -173.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.85 132.95 42.18 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.865 2.377 . . . . 0.0 113.289 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.89 -29.93 55.75 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 124.097 3.198 . . . . 0.0 115.016 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -68.78 -24.0 64.36 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.354 1.061 . . . . 0.0 113.51 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -94.64 -28.34 15.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.76 1.224 . . . . 0.0 112.666 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -68.5 133.84 49.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.868 0.867 . . . . 0.0 112.396 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -124.13 121.39 35.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.302 1.441 . . . . 0.0 108.658 169.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.4 mt -105.41 127.37 52.95 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.529 0.732 . . . . 0.0 110.272 -178.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -117.13 145.38 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 125.726 1.61 . . . . 0.0 109.074 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -144.65 133.88 22.95 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.143 1.377 . . . . 0.0 109.968 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.86 33.7 4.69 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.43 -1.04 83.46 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.188 1.375 . . . . 0.0 115.937 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -101.52 137.83 39.33 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.765 1.626 . . . . 0.0 111.077 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.83 139.94 33.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.31 0.644 . . . . 0.0 111.203 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 33.1 mt -99.45 145.47 27.4 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.273 1.429 . . . . 0.0 111.9 -172.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -114.93 138.22 51.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.871 1.268 . . . . 0.0 113.065 -169.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.05 -43.58 51.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.905 1.682 . . . . 0.0 114.765 -170.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.42 -4.01 90.51 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.758 1.171 . . . . 0.0 115.404 -176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -95.59 163.79 13.06 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.164 1.385 . . . . 0.0 110.828 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -115.02 162.09 17.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.45 1.5 . . . . 0.0 112.483 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.26 -35.16 69.4 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 99.2 p -71.17 -24.31 62.22 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -66.42 -29.67 69.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.921 1.237 . . . . 0.0 111.833 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.7 2.74 54.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.479 1.512 . . . . 0.0 113.634 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 53.81 31.57 13.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.896 1.678 . . . . 0.0 114.172 -173.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.45 137.35 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.588 1.155 . . . . 0.0 109.079 173.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -129.35 176.64 7.79 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.238 1.415 . . . . 0.0 112.079 -169.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -57.61 136.88 56.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.267 0.627 . . . . 0.0 111.805 173.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 61.44 12.43 4.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.099 1.759 . . . . 0.0 115.677 -173.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.3 m -67.17 145.72 54.97 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.696 -1.252 . . . . 0.0 111.106 169.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 61.6 m -109.53 118.99 38.07 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.172 0.989 . . . . 0.0 111.166 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -93.99 160.0 14.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.698 1.599 . . . . 0.0 110.023 171.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -118.83 110.8 17.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.126 1.37 . . . . 0.0 109.076 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 63.4 tp -88.94 108.9 19.81 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.939 1.296 . . . . 0.0 110.297 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 50.4 t -89.52 143.01 12.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 126.26 1.824 . . . . 0.0 109.06 169.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mt -122.75 113.09 18.72 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.4 1.48 . . . . 0.0 108.127 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -146.47 128.4 15.45 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.028 0.931 . . . . 0.0 111.256 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.0 tp -149.03 -74.82 0.17 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.921 1.288 . . . . 0.0 111.765 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -163.61 -43.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.2 1.4 . . . . 0.0 113.047 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.1 -131.7 4.21 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.628 1.585 . . . . 0.0 113.274 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.189 0 C-N-CA 125.157 1.361 . . . . 0.0 112.75 177.622 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -142.61 137.24 29.89 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.623 1.169 . . . . 0.0 111.112 172.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -94.03 -52.12 4.55 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.767 1.227 . . . . 0.0 110.798 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -64.79 -39.91 94.38 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -68.76 -52.87 25.79 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -60.01 -41.72 92.74 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.26 1.024 . . . . 0.0 112.37 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -54.58 -62.5 1.62 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.276 1.03 . . . . 0.0 111.56 170.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.19 -42.43 63.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.326 1.05 . . . . 0.0 112.312 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' LEU . . . . . 0.453 ' CD1' ' HE2' ' C' ' 90' ' ' LYS . 0.4 OUTLIER -55.02 -55.81 26.74 Favored 'General case' 0 C--O 1.223 -0.294 0 C-N-CA 126.572 1.949 . . . . 0.0 109.116 175.525 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.37 -44.55 68.7 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.256 -0.903 . . . . 0.0 110.99 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.79 -41.12 99.13 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.875 -0.516 . . . . 0.0 112.087 177.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . 0.453 ' HE2' ' CD1' ' C' ' 87' ' ' LEU . 0.0 OUTLIER -65.59 -49.05 70.22 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.251 1.42 . . . . 0.0 111.787 -176.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' MET . . . . . . . . . . . . . 13.1 ptp -66.6 -31.95 72.98 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 175.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 1.4 t -58.08 -46.69 85.03 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 169.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -69.73 -39.3 76.89 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.256 -0.903 . . . . 0.0 112.493 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -57.79 -51.13 70.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.886 0.766 . . . . 0.0 111.117 173.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -57.63 -44.34 85.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.836 0.855 . . . . 0.0 111.38 177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.54 92.57 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.36 -0.837 . . . . 0.0 112.961 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -66.66 -45.24 79.59 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.459 1.104 . . . . 0.0 112.27 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.5 -39.12 81.4 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 118.331 -0.842 . . . . 0.0 111.62 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.06 -46.83 95.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.829 1.195 . . . . 0.0 110.99 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -60.66 -39.03 86.89 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 122.25 -0.281 . . . . 0.0 111.738 173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' SER . . . . . . . . . . . . . 37.2 m -63.08 -42.02 99.55 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 176.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -64.78 -45.01 88.16 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 119.669 1.122 . . . . 0.0 111.128 175.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -58.95 -43.02 91.2 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.6 -39.86 92.02 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.422 -0.799 . . . . 0.0 112.619 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.51 -39.76 92.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.641 -0.662 . . . . 0.0 112.488 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -40.82 87.63 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.565 0.746 . . . . 0.0 112.433 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.59 -43.75 96.03 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.764 0.711 . . . . 0.0 111.896 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.17 -42.49 88.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.762 -0.586 . . . . 0.0 111.885 178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' LEU . . . . . 0.412 ' C ' HD13 ' C' ' 109' ' ' LEU . 2.6 tm? -54.76 -50.22 68.96 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.329 1.052 . . . . 0.0 111.248 170.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.84 -44.63 96.69 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.017 0.527 . . . . 0.0 110.573 -176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -51.22 66.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.573 0.749 . . . . 0.0 111.37 171.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -58.23 -41.89 85.12 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 118.806 0.73 . . . . 0.0 111.842 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.83 95.96 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.058 0.543 . . . . 0.0 111.346 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 mp -57.93 -52.14 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.439 0.563 . . . . 0.0 110.416 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.31 -46.27 89.47 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.983 0.897 . . . . 0.0 111.564 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.24 -24.31 63.06 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 120.456 -1.403 . . . . 0.0 112.447 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 10.1 t -60.51 -40.3 90.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.971 0.805 . . . . 0.0 112.831 172.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.11 -25.21 22.0 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -81.36 -21.98 38.73 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -136.26 30.4 2.97 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -63.26 -35.96 82.08 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.234 -0.916 . . . . 0.0 112.47 177.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -68.76 146.5 97.56 Favored Pre-proline 0 N--CA 1.477 0.924 0 C-N-CA 125.338 1.455 . . . . 0.0 112.917 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.9 164.41 35.66 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.528 2.819 . . . . 0.0 113.415 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.254 1.316 0 C-N-CA 126.709 2.003 . . . . 0.0 113.566 -177.586 . . . . . . . . 0 0 . 1 stop_ save_