data_1xkm_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 1xkm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.755 0 N-CA-C 111.281 -0.315 . . . . 10.0 111.281 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 119.486 -0.292 . . . . 10.0 111.731 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 N-CA-C 114.67 0.989 . . . . 10.0 114.67 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 111.092 -0.388 . . . . 10.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 112.187 0.439 . . . . 10.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.536 0.605 0 N-CA-C 114.116 0.775 . . . . 10.0 114.116 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.456 -0.705 0 N-CA-C 111.263 -0.322 . . . . 10.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 CA-C-O 120.632 0.18 . . . . 10.0 111.803 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 CA--C 1.539 0.753 0 N-CA-C 111.354 -0.287 . . . . 10.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 N-CA-C 111.323 -0.299 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 119.455 -0.307 . . . . 10.0 111.556 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.538 0.69 0 CA-C-O 120.001 -0.083 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 CA-C-O 120.412 0.088 . . . . 10.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 CA-C-O 119.345 -0.356 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.421 0.092 . . . . 10.0 111.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.415 . . . . 10.0 112.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.54 0.78 0 CA-C-O 119.016 -0.493 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.458 -0.593 0 N-CA-C 110.939 -0.447 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 112.804 0.271 . . . . 10.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.459 -0.559 0 N-CA-C 112.657 0.214 . . . . 10.0 112.657 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 111.873 0.323 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.341 -1.061 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.98 0.733 . . . . 10.0 112.98 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 CA--C 1.535 0.558 0 CA-C-O 121.091 0.371 . . . . 10.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 111.761 0.282 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 119.571 -0.262 . . . . 10.0 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.655 0.242 . . . . 10.0 111.655 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 110.529 -0.604 . . . . 10.0 110.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 119.399 -0.334 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 CA-C-O 121.148 0.395 . . . . 10.0 111.22 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.395 -0.656 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 119.916 -0.088 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 113.211 0.427 . . . . 10.0 113.211 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 110.642 -0.561 . . . . 10.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 112.868 0.296 . . . . 10.0 112.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.542 0.915 0 CA-C-O 119.611 -0.245 . . . . 10.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 111.646 -0.175 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 CA-C-O 119.386 -0.339 . . . . 10.0 111.637 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 114.161 0.793 . . . . 10.0 114.161 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.54 0.797 0 CA-C-O 119.628 -0.238 . . . . 10.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 CA-C-O 120.752 0.23 . . . . 10.0 111.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.794 0 N-CA-C 109.551 -0.98 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 CA--C 1.536 0.599 0 CA-C-O 120.629 0.179 . . . . 10.0 112.408 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 CA-C-O 119.204 -0.415 . . . . 10.0 111.613 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.478 0.177 . . . . 10.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.775 0.644 . . . . 10.0 113.775 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 111.335 -0.294 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 N-CA-C 113.25 0.442 . . . . 10.0 113.25 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 111.459 -0.246 . . . . 10.0 111.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 113.496 0.537 . . . . 10.0 113.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 110.944 -0.445 . . . . 10.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 CA-C-O 121.043 0.351 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.303 -0.691 . . . . 10.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 115.4 1.269 . . . . 10.0 115.4 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.538 0.723 0 CA-C-O 119.06 -0.475 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.533 0.463 0 N-CA-C 113.225 0.433 . . . . 10.0 113.225 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.54 0.819 0 CA-C-O 119.26 -0.392 . . . . 10.0 111.834 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 CA--C 1.536 0.585 0 N-CA-C 113.79 0.65 . . . . 10.0 113.79 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.883 0.373 . . . . 10.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.97 -51.07 69.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.92 0.888 . . . . 10.0 112.648 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.17 65.33 0.73 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.133 0.973 . . . . 10.0 110.641 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -79.83 133.64 36.29 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.842 -0.536 . . . . 10.0 111.401 -175.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 t 66.19 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.142 1.377 . . . . 10.0 110.45 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.8 164.07 15.95 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.499 2.132 . . . . 10.0 111.281 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.93 -58.07 9.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.643 1.177 . . . . 10.0 113.272 -171.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.73 -41.37 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 122.619 0.368 . . . . 10.0 111.625 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.91 -51.4 63.86 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.946 0.498 . . . . 10.0 110.843 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.25 -51.57 30.63 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 123.626 0.631 . . . . 10.0 112.063 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.63 -56.18 25.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.284 0.542 . . . . 10.0 112.143 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt -62.13 -38.04 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.66 -0.65 . . . . 10.0 111.731 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.9 61.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -46.63 -40.05 12.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.35 1.06 . . . . 10.0 112.907 169.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 70.49 -56.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.146 1.778 . . . . 10.0 115.336 167.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.919 -1.515 . . . . 10.0 113.141 -176.345 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.6 26.13 0.39 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.9 -73.04 0.55 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.036 1.334 . . . . 10.0 110.295 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.66 146.78 48.93 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.671 1.188 . . . . 10.0 109.747 -175.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t 56.15 64.83 4.72 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 10.0 109.149 -163.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.78 160.03 50.74 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.56 2.173 . . . . 10.0 111.899 -167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.57 -39.57 6.99 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.888 3.725 . . . . 10.0 114.67 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.08 -10.19 4.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm 78.78 28.97 0.41 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.91 2.084 . . . . 10.0 112.403 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mm -73.94 -39.45 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.801 -0.562 . . . . 10.0 111.14 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.104 -1.427 . . . . 10.0 110.957 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -35.85 21.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.068 1.747 . . . . 10.0 113.185 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -53.06 -24.6 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p 71.03 170.18 0.32 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.142 1.777 . . . . 10.0 113.099 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.93 -55.57 3.07 Favored Glycine 0 CA--C 1.535 1.314 0 O-C-N 121.118 -0.988 . . . . 10.0 113.231 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -28.28 -64.96 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.878 2.471 . . . . 10.0 114.275 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -58.07 -41.06 79.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -59.13 -17.93 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.89 -28.95 62.52 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.553 1.07 . . . . 10.0 112.114 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 62.21 -48.33 0.17 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.651 2.78 . . . . 10.0 117.158 170.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.432 -1.27 . . . . 10.0 110.991 169.344 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.425 0.155 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.4 t30 68.8 -39.93 0.43 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -127.52 157.86 38.98 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.967 1.707 . . . . 10.0 109.419 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.62 179.33 4.79 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.117 0.96 . . . . 10.0 112.521 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 p -150.57 122.34 4.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 125.174 1.39 . . . . 10.0 107.486 158.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.47 152.04 43.09 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 121.993 1.796 . . . . 10.0 111.092 -170.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.76 0.314 . . . . 10.0 111.763 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.68 -70.24 0.47 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -168.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.85 -42.22 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 O-C-N 121.529 -0.732 . . . . 10.0 111.654 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -54.9 -57.82 10.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.51 1.124 . . . . 10.0 110.752 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.23 -49.45 19.06 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 123.882 0.753 . . . . 10.0 113.14 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.46 -60.65 3.03 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.987 0.915 . . . . 10.0 112.04 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt -62.0 -41.15 89.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 121.458 -0.776 . . . . 10.0 112.187 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -58.11 -33.23 68.89 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -47.58 -40.43 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.751 0.82 . . . . 10.0 112.456 168.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt 69.51 -57.47 0.54 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.112 1.765 . . . . 10.0 115.703 166.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.06 -1.447 . . . . 10.0 113.126 -175.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.74 70.15 1.86 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.678 0.791 . . . . 10.0 111.474 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -71.21 -8.95 57.05 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 66.47 -53.86 0.42 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.823 2.049 . . . . 10.0 113.32 -170.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.91 111.27 4.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.645 1.578 . . . . 10.0 108.653 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.41 142.79 27.06 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.012 1.808 . . . . 10.0 110.861 -171.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.13 -35.87 11.25 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.988 3.125 . . . . 10.0 114.116 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t -74.47 2.65 9.08 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 66.91 32.69 6.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.18 1.792 . . . . 10.0 113.13 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mm -91.66 -30.14 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 121.912 -0.493 . . . . 10.0 111.708 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.775 -1.107 . . . . 10.0 112.218 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.7 t30 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.3 -49.46 72.08 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.814 . . . . 10.0 112.295 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.66 66.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 122.835 1.303 . . . . 10.0 110.348 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t 168.99 -60.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 129.766 3.226 . . . . 10.0 107.504 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.36 -48.74 53.64 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.229 0.919 . . . . 10.0 112.614 173.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.93 -62.72 1.47 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 117.753 0.776 . . . . 10.0 111.594 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt -58.85 -43.41 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.084 -0.385 . . . . 10.0 111.782 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -42.82 85.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 t -57.92 -70.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.394 1.078 . . . . 10.0 111.927 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 pttm 32.04 41.69 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.266 1.826 . . . . 10.0 115.222 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.806 -1.092 . . . . 10.0 113.391 -164.255 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -74.4 64.17 1.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.513 0.597 . . . . 10.0 112.113 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -117.14 155.3 29.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.84 1.656 . . . . 10.0 110.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -76.94 76.34 3.51 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.065 -1.022 . . . . 10.0 112.105 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.6 t -42.11 107.74 0.55 Allowed Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.336 1.454 . . . . 10.0 111.658 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.53 153.19 13.63 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.314 2.009 . . . . 10.0 111.263 -170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.701 0.259 . . . . 10.0 111.701 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 tp 65.17 -68.27 0.11 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.979 1.712 . . . . 10.0 113.541 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.96 -70.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.229 1.012 . . . . 10.0 111.35 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.63 -29.08 67.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 10.0 110.307 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.57 -50.2 4.8 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 126.23 1.871 . . . . 10.0 113.722 175.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.18 -63.03 1.27 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.759 0.78 . . . . 10.0 111.564 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt -63.15 -41.83 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.659 -0.651 . . . . 10.0 112.372 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -71.98 -8.32 53.81 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 p -57.56 -32.51 67.19 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.294 1.406 . . . . 10.0 112.658 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -72.32 66.58 0.67 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.324 0.649 . . . . 10.0 110.642 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.736 -1.602 . . . . 10.0 112.548 179.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.246 0.07 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -110.66 -172.97 2.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 10.0 112.763 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -55.32 -30.51 60.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.719 1.208 . . . . 10.0 113.248 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -92.2 -71.12 0.66 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.336 1.054 . . . . 10.0 111.404 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.3 124.08 76.38 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 121.26 -0.9 . . . . 10.0 111.869 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.57 161.1 34.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.402 2.734 . . . . 10.0 111.882 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.47 -42.22 23.07 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.183 2.589 . . . . 10.0 111.803 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t -48.42 -46.48 37.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -85.75 4.49 36.54 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.624 0.972 . . . . 10.0 113.624 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mm 67.71 -62.88 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.231 1.812 . . . . 10.0 112.494 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.696 -1.145 . . . . 10.0 111.982 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.998 0.428 . . . . 10.0 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.08 137.66 58.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.887 0.475 . . . . 10.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 19.5 m -74.02 63.02 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.533 1.133 . . . . 10.0 112.997 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -35.31 -63.67 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 127.966 2.506 . . . . 10.0 113.006 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.56 17.4 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.709 1.147 . . . . 10.0 113.551 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 tp -69.39 -50.36 46.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.932 0.866 . . . . 10.0 111.327 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt -61.1 -39.82 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.464 -0.773 . . . . 10.0 111.866 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -52.29 -33.22 41.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.9 t -43.96 -37.86 3.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.899 1.28 . . . . 10.0 114.236 170.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -151.71 -39.6 0.12 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 125.02 1.328 . . . . 10.0 111.168 -168.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.045 -0.502 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 67.6 -52.05 0.5 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.303 1.841 . . . . 10.0 114.696 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -55.15 0.61 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.48 1.512 . . . . 10.0 111.769 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.4 139.4 29.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.929 0.891 . . . . 10.0 112.096 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.46 119.59 66.64 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -72.61 150.81 51.65 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.07 1.847 . . . . 10.0 111.354 -171.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.45 -72.55 0.05 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.222 2.209 . . . . 10.0 113.763 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -153.0 149.69 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.292 1.037 . . . . 10.0 110.809 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.5 p -167.3 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.279 1.432 . . . . 10.0 109.547 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.58 53.19 4.24 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.219 -0.926 . . . . 10.0 113.926 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.04 -56.87 11.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.586 1.154 . . . . 10.0 110.437 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.35 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.807 0.843 . . . . 10.0 112.332 175.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -35.32 63.43 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -50.37 -32.87 18.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.816 1.247 . . . . 10.0 112.71 170.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 72.93 -52.82 0.71 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.357 1.863 . . . . 10.0 115.027 166.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.605 -1.664 . . . . 10.0 113.111 -179.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -65.3 90.4 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -124.51 135.71 53.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.653 1.581 . . . . 10.0 107.46 160.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 64.6 -66.66 0.12 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.037 1.335 . . . . 10.0 111.562 -167.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.31 113.73 10.52 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.054 1.342 . . . . 10.0 110.135 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.65 146.97 50.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.274 1.983 . . . . 10.0 111.947 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -57.15 -34.34 97.56 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.055 2.503 . . . . 10.0 111.323 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.73 -49.44 19.57 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -83.56 -7.15 59.58 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm 67.43 -55.23 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.854 1.662 . . . . 10.0 111.735 -170.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.077 1.751 . . . . 10.0 108.656 167.38 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.4 tp -56.8 142.91 39.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.637 0.775 . . . . 10.0 111.573 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -42.76 -50.68 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.409 1.484 . . . . 10.0 113.404 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 33.2 p -52.74 -66.95 0.3 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.181 0.992 . . . . 10.0 111.711 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.7 -52.3 9.48 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.693 1.139 . . . . 10.0 112.587 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 tp -48.47 -65.35 0.58 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.387 1.475 . . . . 10.0 111.972 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.16 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 O-C-N 121.911 -0.493 . . . . 10.0 111.556 -175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -16.98 13.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.49 -34.4 72.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.388 1.449 . . . . 10.0 111.631 170.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 68.54 -54.29 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.156 1.782 . . . . 10.0 113.58 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.363 -1.78 . . . . 10.0 113.093 177.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.09 45.28 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.503 1.921 . . . . 10.0 113.177 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -58.58 0.4 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.307 2.243 . . . . 10.0 112.066 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.27 -53.96 5.36 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -95.23 117.42 66.72 Favored Pre-proline 0 CA--C 1.543 0.689 0 O-C-N 121.506 -0.746 . . . . 10.0 111.049 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -82.97 159.87 15.78 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.426 2.751 . . . . 10.0 111.969 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt 31.36 -89.26 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.452 2.701 . . . . 10.0 115.388 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.2 m -51.73 -37.49 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.025 0.93 . . . . 10.0 112.22 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -57.6 -58.24 9.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.214 1.005 . . . . 10.0 110.615 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.22 44.0 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.023 0.82 . . . . 10.0 111.931 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.4 -55.92 23.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 117.693 0.746 . . . . 10.0 112.316 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -63.65 -39.52 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.398 -0.814 . . . . 10.0 112.514 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 -35.28 58.18 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -65.01 -67.3 0.45 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.32 0.648 . . . . 10.0 110.999 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? 59.86 -73.38 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.52 1.928 . . . . 10.0 115.143 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.484 1.914 . . . . 10.0 113.867 -167.474 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 67.62 -177.74 0.21 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.929 1.292 . . . . 10.0 111.05 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -9.29 99.73 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.141 2.576 . . . . 10.0 115.991 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 142.92 58.25 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 165.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -132.68 90.84 31.66 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 123.563 0.745 . . . . 10.0 109.846 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.87 147.67 34.87 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.274 1.983 . . . . 10.0 111.482 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -58.26 -32.15 95.25 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.141 2.56 . . . . 10.0 112.06 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -66.05 -54.4 26.38 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -85.01 -21.19 29.55 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.017 1.117 . . . . 10.0 114.017 -173.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm 68.91 -62.2 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 125.957 1.703 . . . . 10.0 111.253 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.866 -1.064 . . . . 10.0 112.002 173.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.03 -42.14 84.7 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -173.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.91 -31.2 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 -168.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -133.35 -44.93 0.83 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.077 0.951 . . . . 10.0 113.241 -173.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.25 66.53 3.18 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 123.826 0.727 . . . . 10.0 113.712 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -45.48 -57.63 3.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.354 1.462 . . . . 10.0 110.436 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.08 76.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 177.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -31.79 41.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -45.56 -27.39 0.74 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.047 1.339 . . . . 10.0 113.597 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -68.17 65.77 0.1 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.355 -0.841 . . . . 10.0 111.367 164.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.962 -1.018 . . . . 10.0 112.483 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.67 69.06 3.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.36 -0.837 . . . . 10.0 111.687 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.4 ttp-105 69.21 -42.44 0.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.578 2.351 . . . . 10.0 114.811 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 68.54 -59.49 0.45 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.155 1.782 . . . . 10.0 112.245 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.99 107.55 38.23 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.145 0.978 . . . . 10.0 111.45 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.04 142.22 21.71 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.161 1.907 . . . . 10.0 111.545 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 111.772 0.286 . . . . 10.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.3 -14.71 28.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.24 -25.12 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 O-C-N 121.229 -0.92 . . . . 10.0 111.918 167.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -63.53 74.23 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.277 1.431 . . . . 10.0 112.318 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.51 22.57 5.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.652 1.596 . . . . 10.0 113.229 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -34.43 -60.41 0.42 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.609 1.963 . . . . 10.0 113.133 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.73 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.69 -36.16 34.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 31.7 t -47.78 -49.41 28.79 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.471 0.915 . . . . 10.0 113.471 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -161.78 25.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -167.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.44 -1.267 . . . . 10.0 110.088 175.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.657 -0.211 . . . . 10.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 64.66 -58.04 0.25 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 10.0 114.852 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 71.12 -59.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.96 1.704 . . . . 10.0 112.849 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 92.26 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.283 1.033 . . . . 10.0 110.969 175.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.15 114.36 11.39 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.441 1.096 . . . . 10.0 110.213 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.78 130.62 5.91 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.064 1.843 . . . . 10.0 111.833 -166.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -60.27 -30.54 91.36 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.742 2.294 . . . . 10.0 111.891 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -48.56 -43.68 35.92 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -70.61 -17.14 62.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.0 mt 70.74 -55.21 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.699 2.0 . . . . 10.0 112.588 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.168 0 CA-C-O 116.919 -1.515 . . . . 10.0 112.167 173.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.845 0.355 . . . . 10.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 92.6 mt -124.4 -55.12 1.66 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.3 1.84 . . . . 10.0 109.635 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -49.18 -44.21 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 10.0 112.252 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 30.3 m 66.04 89.74 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.16 64.06 0.98 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.588 -0.695 . . . . 10.0 112.792 173.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -48.29 -64.61 0.75 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.197 1.799 . . . . 10.0 112.538 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt -61.32 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.994 -0.441 . . . . 10.0 112.119 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.67 73.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 t -49.6 -43.81 46.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.574 0.624 . . . . 10.0 112.002 171.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 tptp 69.23 -57.65 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 164.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.936 -1.506 . . . . 10.0 113.139 -174.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.02 111.45 1.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.887 0.475 . . . . 10.0 111.41 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.21 -58.02 0.42 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.329 1.452 . . . . 10.0 112.508 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.42 -173.96 4.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.188 0.995 . . . . 10.0 112.754 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.3 t -121.02 126.14 26.74 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 125.716 1.607 . . . . 10.0 106.938 165.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.51 134.27 24.04 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.921 1.747 . . . . 10.0 111.01 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.382 0.134 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.93 -57.39 12.83 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.849 -0.532 . . . . 10.0 112.24 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.08 162.3 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.375 1.07 . . . . 10.0 110.223 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m 69.67 -64.12 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.136 1.775 . . . . 10.0 113.756 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.45 -43.19 6.06 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.808 1.194 . . . . 10.0 112.412 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 26.3 tp -12.11 -62.45 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 129.033 2.933 . . . . 10.0 115.26 165.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt -64.07 -45.54 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 118.988 0.813 . . . . 10.0 112.337 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -57.62 -30.23 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.03 -42.31 13.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.96 0.904 . . . . 10.0 112.688 167.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt 69.66 -55.43 0.58 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.302 1.841 . . . . 10.0 115.904 167.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 124.877 1.271 . . . . 10.0 113.536 -174.756 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -74.81 59.28 0.87 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.052 1.13 . . . . 10.0 114.052 -170.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 45.09 58.46 4.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.437 1.495 . . . . 10.0 112.068 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.58 63.42 5.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.69 0.796 . . . . 10.0 111.358 -171.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -24.56 104.69 0.12 Allowed Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 128.146 2.578 . . . . 10.0 113.709 -171.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.24 150.65 33.25 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.607 2.205 . . . . 10.0 112.122 -167.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -56.61 -36.88 98.38 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.79 2.326 . . . . 10.0 110.939 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t -48.79 -49.1 40.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.59 10.81 8.26 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 66.96 -60.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.512 1.925 . . . . 10.0 112.463 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.547 1.139 . . . . 10.0 111.489 175.373 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.054 0.761 . . . . 10.0 113.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 tt -40.96 -39.78 1.25 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.764 2.026 . . . . 10.0 113.997 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -42.69 -42.47 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.656 1.182 . . . . 10.0 113.609 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.2 p -58.15 -63.77 1.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.307 0.643 . . . . 10.0 111.553 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.56 12.21 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.121 1.343 . . . . 10.0 112.51 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.08 -59.43 5.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.572 0.686 . . . . 10.0 112.429 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.63 -39.91 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 119.3 0.955 . . . . 10.0 111.689 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -17.48 20.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -61.3 -25.99 67.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.847 1.203 . . . . 10.0 112.057 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.326 24.2 pttm 61.31 -49.86 0.12 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.551 2.741 . . . . 10.0 115.487 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.252 1.212 0 CA-C-O 116.817 -1.564 . . . . 10.0 112.031 172.618 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.55 65.28 1.75 Allowed 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.433 -0.792 . . . . 10.0 110.613 174.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -65.48 176.93 1.28 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.329 0.652 . . . . 10.0 111.311 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.49 -33.6 66.13 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.775 -0.578 . . . . 10.0 111.519 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -142.7 119.73 7.0 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.895 1.278 . . . . 10.0 109.074 163.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.9 160.98 47.57 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.887 2.391 . . . . 10.0 112.804 -165.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.512 0.672 . . . . 10.0 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.55 -42.73 62.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.984 1.314 . . . . 10.0 112.306 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.29 -53.75 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.773 -0.579 . . . . 10.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -56.95 -46.71 81.93 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.061 -0.399 . . . . 10.0 111.387 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.02 17.31 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.798 0.714 . . . . 10.0 112.002 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -51.43 -60.41 3.17 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.048 1.339 . . . . 10.0 111.999 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt -62.5 -43.2 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.285 0.493 . . . . 10.0 112.208 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -59.73 -4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 85.7 m -53.65 -40.17 65.65 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.195 1.361 . . . . 10.0 111.73 161.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -144.86 -37.38 0.29 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.662 0.986 . . . . 10.0 113.662 -172.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.725 1.61 . . . . 10.0 111.754 -175.151 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -155.2 -174.55 5.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.624 1.17 . . . . 10.0 111.873 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -51.82 -46.0 64.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.567 1.547 . . . . 10.0 113.932 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.38 -45.98 13.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.215 1.006 . . . . 10.0 111.656 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.95 93.91 8.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.896 0.878 . . . . 10.0 109.603 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.02 160.9 33.24 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.972 1.781 . . . . 10.0 113.809 -162.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.64 -46.44 14.95 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 124.013 3.142 . . . . 10.0 112.657 167.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -48.82 -46.54 42.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -81.75 -3.75 54.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.286 1.217 . . . . 10.0 114.286 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 36.7 mm 65.47 -64.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.819 1.648 . . . . 10.0 111.679 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.351 -1.309 . . . . 10.0 111.039 175.192 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 119.242 -0.408 . . . . 10.0 111.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.62 -166.85 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.73 -43.86 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 121.094 -1.004 . . . . 10.0 112.527 171.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -48.5 -38.72 20.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.716 1.206 . . . . 10.0 113.194 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.92 35.1 4.86 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 123.727 0.68 . . . . 10.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.9 -55.19 29.18 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.131 0.972 . . . . 10.0 110.421 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt -54.7 -42.34 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.41 0.684 . . . . 10.0 111.873 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -67.79 -40.87 83.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -38.94 -56.34 1.41 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.746 1.618 . . . . 10.0 113.659 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 25.45 68.35 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.021 2.128 . . . . 10.0 115.442 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.02 -1.467 . . . . 10.0 111.454 176.136 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.64 57.18 1.98 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.701 0.8 . . . . 10.0 112.98 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.67 67.02 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.22 -0.925 . . . . 10.0 112.05 167.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 65.25 -77.86 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.726 1.61 . . . . 10.0 114.084 166.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 m -47.36 105.11 0.45 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 126.331 1.852 . . . . 10.0 114.57 -169.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.97 149.32 28.8 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 121.537 1.492 . . . . 10.0 109.341 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt 17.19 -92.2 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.621 2.768 . . . . 10.0 115.451 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -49.34 -40.67 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.327 1.051 . . . . 10.0 113.114 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.6 p -87.39 -44.67 11.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.427 1.091 . . . . 10.0 111.145 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.34 70.14 1.63 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.983 0.802 . . . . 10.0 112.49 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -52.73 3.52 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.394 1.078 . . . . 10.0 112.462 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -59.26 -39.52 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 10.0 112.98 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -37.78 64.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 16.2 t -55.71 -30.56 61.35 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.067 1.347 . . . . 10.0 113.469 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.17 66.42 1.68 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.09 0.947 . . . . 10.0 111.033 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.251 1.15 0 CA-C-O 116.796 -1.573 . . . . 10.0 112.072 175.376 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -35.46 -47.67 0.45 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.576 2.35 . . . . 10.0 114.421 -171.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -130.95 63.29 1.6 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.286 1.434 . . . . 10.0 109.777 173.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.92 50.62 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 10.0 114.025 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 179.55 115.05 0.2 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 127.448 2.299 . . . . 10.0 108.173 -175.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.29 142.75 19.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.814 1.676 . . . . 10.0 110.923 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.25 -39.82 21.42 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 123.33 2.686 . . . . 10.0 112.566 166.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.92 -43.23 77.15 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.48 11.87 9.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 68.48 -60.14 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.629 1.972 . . . . 10.0 112.785 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.177 -1.392 . . . . 10.0 110.453 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.77 155.8 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.515 1.526 . . . . 10.0 111.283 -166.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.18 -50.26 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.612 -1.305 . . . . 10.0 112.314 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 24.0 p -55.75 -63.42 1.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.39 1.476 . . . . 10.0 111.584 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.03 -45.91 50.73 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.145 0.878 . . . . 10.0 112.452 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.54 -60.61 3.29 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.049 0.925 . . . . 10.0 112.364 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt -61.52 -41.07 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 121.55 -0.719 . . . . 10.0 111.761 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -72.28 -48.41 42.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.1 p -69.01 153.98 42.86 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 -171.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -157.34 128.38 6.7 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.718 0.807 . . . . 10.0 111.016 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.143 -1.408 . . . . 10.0 110.969 176.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.66 73.81 3.34 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.292 -0.88 . . . . 10.0 111.008 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -127.06 136.8 52.68 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.634 1.174 . . . . 10.0 113.46 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -123.38 -119.94 0.28 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.692 1.997 . . . . 10.0 107.881 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -170.73 99.45 0.43 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.486 1.514 . . . . 10.0 108.745 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.51 155.46 31.89 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 121.67 1.58 . . . . 10.0 111.758 -169.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt 46.51 -114.27 0.5 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.879 1.272 . . . . 10.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.96 -54.29 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.192 0.997 . . . . 10.0 112.075 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -69.65 87.24 0.49 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.358 1.463 . . . . 10.0 109.566 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.39 -63.63 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.575 1.559 . . . . 10.0 109.259 -168.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.55 -56.74 13.18 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.269 1.027 . . . . 10.0 111.906 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -60.34 -41.41 87.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.944 0.793 . . . . 10.0 111.655 -173.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.42 -33.05 63.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.9 -40.27 9.85 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 59.96 -47.09 0.09 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.551 3.141 . . . . 10.0 118.304 169.002 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.342 -1.313 . . . . 10.0 112.637 -178.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.254 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -62.12 110.25 1.54 Allowed 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.268 -1.52 . . . . 10.0 111.52 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -129.52 136.81 50.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.48 1.912 . . . . 10.0 108.771 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 58.96 -65.39 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.057 1.743 . . . . 10.0 112.534 -162.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -79.73 116.97 64.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.061 1.744 . . . . 10.0 110.423 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.64 158.0 28.37 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.31 2.674 . . . . 10.0 112.058 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -59.95 -32.37 94.98 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.792 2.328 . . . . 10.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -46.44 -53.16 11.65 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.0 -14.4 62.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.075 1.35 . . . . 10.0 113.274 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm 68.35 -61.46 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.651 1.981 . . . . 10.0 110.84 -170.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.186 -1.388 . . . . 10.0 110.331 174.573 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.195 0.045 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 mt 69.85 -58.75 0.52 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.686 1.594 . . . . 10.0 112.328 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.31 -41.73 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.471 0.709 . . . . 10.0 111.666 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 31.3 p -51.42 -60.55 3.01 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.879 1.272 . . . . 10.0 111.217 171.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.83 -52.78 11.05 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.785 1.184 . . . . 10.0 112.384 173.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.49 -59.96 3.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.913 0.885 . . . . 10.0 112.142 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt -62.06 -40.11 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.464 -0.772 . . . . 10.0 112.112 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -41.36 86.94 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -61.81 145.14 53.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.168 0.987 . . . . 10.0 112.933 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.78 68.4 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 10.0 110.761 173.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.941 -1.504 . . . . 10.0 111.662 -176.42 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -73.14 67.03 0.89 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 122.226 1.012 . . . . 10.0 112.377 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -78.36 58.91 2.23 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.564 1.546 . . . . 10.0 111.67 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.4 102.5 14.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.815 1.246 . . . . 10.0 110.179 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -44.37 115.44 2.26 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.745 1.218 . . . . 10.0 112.166 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.68 148.02 20.0 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.377 2.052 . . . . 10.0 111.396 -171.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt 68.19 -62.42 0.36 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.03 1.332 . . . . 10.0 111.551 -169.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.67 80.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.985 1.314 . . . . 10.0 111.908 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 m 110.21 -17.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 130.008 3.323 . . . . 10.0 113.351 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.26 75.03 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.594 1.093 . . . . 10.0 110.667 169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -30.55 -61.15 0.18 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.473 2.309 . . . . 10.0 113.772 -173.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt -58.0 -42.1 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.42 -41.17 89.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.265 19.2 p -73.66 65.44 0.98 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.91 1.338 . . . . 10.0 112.019 171.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -77.55 59.34 1.91 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.453 1.501 . . . . 10.0 112.721 -170.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.253 1.278 0 CA-C-O 117.173 -1.394 . . . . 10.0 110.789 174.247 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 59.71 1.31 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.183 0.993 . . . . 10.0 111.26 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.3 -59.61 3.07 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -170.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.68 -65.82 0.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.783 1.233 . . . . 10.0 113.342 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.46 114.79 26.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.444 1.098 . . . . 10.0 112.518 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.67 160.97 31.15 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.327 2.018 . . . . 10.0 111.094 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -58.31 -28.77 85.8 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.672 2.248 . . . . 10.0 111.22 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.36 -55.33 25.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -85.85 -33.6 21.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.18 0.992 . . . . 10.0 113.415 -167.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm 67.39 -61.61 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.721 1.608 . . . . 10.0 111.375 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 123.96 0.904 . . . . 10.0 111.891 174.452 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.6 153.59 19.56 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.875 -0.515 . . . . 10.0 111.899 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 160.14 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.807 0.843 . . . . 10.0 112.526 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 69.47 1.12 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.924 0.89 . . . . 10.0 112.213 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.66 62.06 1.2 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.132 0.872 . . . . 10.0 111.92 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -43.1 -57.52 2.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.884 1.674 . . . . 10.0 114.007 -165.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -53.79 -42.34 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.05 -21.61 61.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 24.0 m -58.72 -37.81 76.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.761 1.164 . . . . 10.0 111.56 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 63.83 -66.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.706 2.002 . . . . 10.0 113.656 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.913 1.685 . . . . 10.0 112.307 179.174 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -57.04 -63.14 1.31 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.056 0.942 . . . . 10.0 112.087 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -84.66 66.08 9.38 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.132 -0.98 . . . . 10.0 111.526 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.88 -69.83 0.05 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.582 1.953 . . . . 10.0 114.637 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -78.05 119.76 78.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.295 -0.878 . . . . 10.0 109.499 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.48 142.75 11.91 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.331 2.021 . . . . 10.0 110.395 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.749 0.278 . . . . 10.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.34 73.63 1.34 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.868 0.867 . . . . 10.0 111.634 -174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 44.9 t 64.8 -70.25 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.945 2.098 . . . . 10.0 112.01 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 52.6 p -32.58 -68.87 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.086 2.154 . . . . 10.0 112.905 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.2 -35.65 55.44 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.369 0.985 . . . . 10.0 113.73 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 tp -71.02 -53.8 13.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.314 1.057 . . . . 10.0 110.854 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt -59.88 -40.79 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 121.634 -0.666 . . . . 10.0 111.051 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -40.83 79.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.262 1.4 p -69.43 -32.7 71.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.631 0.651 . . . . 10.0 112.362 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -69.82 71.92 0.37 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.37 1.081 . . . . 10.0 111.272 161.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.787 -1.578 . . . . 10.0 112.541 173.11 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.928 0.394 . . . . 10.0 111.757 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 142.88 47.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.577 0.751 . . . . 10.0 111.905 175.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -44.18 109.23 0.14 Allowed 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -169.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.44 33.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.508 1.669 . . . . 10.0 115.508 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -177.67 104.08 0.22 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 127.091 2.156 . . . . 10.0 109.264 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.4 157.9 29.24 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.204 1.936 . . . . 10.0 111.494 -174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.27 -34.3 48.76 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.771 2.981 . . . . 10.0 113.211 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -51.27 -46.48 62.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -73.63 -6.12 44.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.574 1.549 . . . . 10.0 113.348 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mm 68.63 -63.82 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.032 1.733 . . . . 10.0 111.275 -171.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.707 -1.616 . . . . 10.0 112.245 178.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.793 0.33 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 85.4 mt -123.76 170.26 10.7 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.114 1.766 . . . . 10.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.13 -44.42 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 O-C-N 121.44 -0.788 . . . . 10.0 112.249 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.4 p -55.29 -63.11 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.251 1.421 . . . . 10.0 111.204 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -50.8 14.0 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.652 1.12 . . . . 10.0 112.299 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.75 -64.04 0.93 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.953 0.901 . . . . 10.0 112.082 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -57.64 -43.93 84.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 120.203 1.365 . . . . 10.0 112.436 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -14.61 14.13 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 36.1 m -64.42 -32.86 74.66 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.113 1.324 . . . . 10.0 111.125 169.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 64.59 -65.21 0.14 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.878 2.071 . . . . 10.0 114.216 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.548 1.539 . . . . 10.0 111.688 179.581 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -68.97 89.91 0.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 112.973 -171.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 mmt-85 -68.53 66.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.761 1.225 . . . . 10.0 113.695 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -87.81 -123.22 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.804 1.242 . . . . 10.0 110.474 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -168.99 133.17 1.27 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.371 1.069 . . . . 10.0 109.309 -173.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.18 146.19 6.36 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.572 2.181 . . . . 10.0 110.642 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.4 mt -36.39 -45.54 0.49 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.328 1.851 . . . . 10.0 115.317 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.03 -25.9 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.6 p -40.76 -70.35 0.11 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.966 1.706 . . . . 10.0 114.198 -170.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.82 -55.92 7.92 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.504 1.049 . . . . 10.0 111.955 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.5 tp -52.01 -57.25 10.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.051 0.94 . . . . 10.0 112.324 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -63.07 -42.03 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.05 0.841 . . . . 10.0 112.09 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -23.12 14.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 t -63.67 -25.32 68.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.164 0.986 . . . . 10.0 112.132 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 71.75 -54.64 0.67 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.377 1.871 . . . . 10.0 114.289 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.16 -1.4 . . . . 10.0 111.777 175.005 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.99 -28.64 67.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.248 1.419 . . . . 10.0 113.051 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 52.81 -113.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.078 0.951 . . . . 10.0 112.096 164.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -56.43 -26.39 53.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.576 1.08 . . . . 10.0 113.597 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.73 108.41 20.44 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 119.215 0.916 . . . . 10.0 109.522 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.53 152.46 33.83 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.48 2.12 . . . . 10.0 111.551 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -46.57 -40.67 23.75 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.473 2.782 . . . . 10.0 112.868 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -58.74 -44.42 90.49 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.73 -1.74 7.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.459 1.103 . . . . 10.0 113.207 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 mm 69.27 -59.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.385 1.874 . . . . 10.0 111.466 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.031 -1.461 . . . . 10.0 111.877 175.55 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 t30 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 mt 62.99 -66.76 0.09 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.564 1.546 . . . . 10.0 113.179 -167.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -52.74 -43.85 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.73 1.212 . . . . 10.0 113.251 -171.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 72.85 -46.72 0.66 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.446 1.499 . . . . 10.0 114.686 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.86 55.77 1.37 Allowed Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.311 -0.868 . . . . 10.0 112.529 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.33 -50.01 72.7 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.68 1.192 . . . . 10.0 112.157 -169.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -45.96 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -34.44 47.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -40.54 -40.41 1.24 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.154 2.181 . . . . 10.0 112.561 170.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -74.08 67.32 1.3 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.784 0.802 . . . . 10.0 111.036 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 117.994 -1.003 . . . . 10.0 112.48 178.424 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 50.94 -73.88 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.444 2.298 . . . . 10.0 115.149 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -121.09 33.51 5.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.437 1.095 . . . . 10.0 112.131 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 70.81 -60.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.545 2.338 . . . . 10.0 114.014 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -174.43 125.8 0.41 Allowed Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.249 1.82 . . . . 10.0 109.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.89 158.93 15.91 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.709 2.272 . . . . 10.0 111.762 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.27 -37.19 79.67 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.06 -53.06 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.324 0.65 . . . . 10.0 111.596 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.9 p -66.96 -37.66 84.69 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.995 0.518 . . . . 10.0 111.144 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.9 -57.63 4.81 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.995 0.807 . . . . 10.0 113.14 164.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.5 tp -40.18 -63.44 0.61 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.327 1.451 . . . . 10.0 113.32 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -39.85 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -39.06 82.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.14 -51.81 60.76 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.734 0.697 . . . . 10.0 110.631 170.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 tttp 72.12 -59.3 0.56 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 163.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.285 -1.34 . . . . 10.0 112.982 -172.243 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.058 1.132 . . . . 10.0 114.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -79.35 63.26 3.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.123 -0.985 . . . . 10.0 112.322 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -77.22 124.28 27.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.97 1.308 . . . . 10.0 112.786 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -45.82 -57.16 4.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.274 1.43 . . . . 10.0 112.33 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.28 118.62 70.23 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 107.463 -1.31 . . . . 10.0 107.463 166.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.39 163.93 24.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.34 2.027 . . . . 10.0 110.792 -161.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -52.88 -33.29 60.76 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.892 2.394 . . . . 10.0 111.646 171.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t -47.0 -50.81 18.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -83.92 6.0 23.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.725 0.81 . . . . 10.0 113.13 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 68.3 -58.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.34 1.856 . . . . 10.0 112.74 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.032 -1.461 . . . . 10.0 111.143 179.112 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.6 mt 63.78 -63.88 0.14 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.886 1.674 . . . . 10.0 113.904 -175.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.38 -51.1 35.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 126.135 1.774 . . . . 10.0 112.588 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 97.2 p -92.97 -34.84 13.59 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.213 -0.304 . . . . 10.0 111.033 172.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.35 -66.6 1.92 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.236 1.398 . . . . 10.0 112.872 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 tp 19.85 -96.93 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.839 2.856 . . . . 10.0 114.841 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt -63.61 -42.52 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.368 -0.833 . . . . 10.0 112.785 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.37 -12.16 13.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 57.2 m -61.64 -27.6 68.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.424 1.465 . . . . 10.0 111.814 167.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -73.59 66.81 1.06 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.464 0.706 . . . . 10.0 111.232 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.15 -1.405 . . . . 10.0 111.348 -178.141 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 -61.89 0.34 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.711 1.604 . . . . 10.0 112.426 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? 62.69 170.23 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.786 2.034 . . . . 10.0 111.435 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.08 -44.25 0.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.715 2.006 . . . . 10.0 113.762 -172.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.43 88.38 25.04 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.869 1.268 . . . . 10.0 108.283 157.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.08 154.33 29.12 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.448 2.099 . . . . 10.0 111.637 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -49.3 114.45 1.03 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.818 1.247 . . . . 10.0 114.274 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -92.86 -68.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.9 0.88 . . . . 10.0 109.596 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.3 t -170.26 -179.52 3.11 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.084 1.754 . . . . 10.0 108.534 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 -63.06 0.81 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.753 1.168 . . . . 10.0 113.212 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 tp 37.75 -94.42 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.726 2.41 . . . . 10.0 114.223 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -60.48 -43.66 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.66 -0.65 . . . . 10.0 111.866 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.04 -29.42 43.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.85 -22.24 0.79 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.945 1.298 . . . . 10.0 113.66 170.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.76 65.1 0.05 Allowed 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.361 -0.837 . . . . 10.0 111.601 164.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.917 -1.04 . . . . 10.0 112.47 179.401 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.279 0.103 . . . . 10.0 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -83.95 119.84 25.39 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.004 0.922 . . . . 10.0 110.115 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -64.15 -34.86 79.03 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.58 -50.57 70.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.476 -0.765 . . . . 10.0 111.814 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -164.51 118.19 1.0 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.266 1.426 . . . . 10.0 110.331 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.11 131.2 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.444 2.096 . . . . 10.0 112.845 -168.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -42.53 -39.73 7.0 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 124.071 3.181 . . . . 10.0 114.161 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t -56.41 -42.34 77.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -66.69 -11.99 56.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.39 1.476 . . . . 10.0 113.177 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 70.09 -59.28 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.609 1.964 . . . . 10.0 110.801 -172.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.446 -1.264 . . . . 10.0 110.181 173.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.59 -42.58 71.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.564 0.746 . . . . 10.0 112.028 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.25 -53.6 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.313 -0.867 . . . . 10.0 111.306 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -53.67 -49.24 68.4 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.538 0.735 . . . . 10.0 111.319 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -55.15 17.46 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.675 0.655 . . . . 10.0 112.38 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -51.05 -60.42 3.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.081 1.352 . . . . 10.0 111.353 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt -63.21 -41.98 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 121.607 -0.683 . . . . 10.0 112.707 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -65.76 -11.94 49.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 t -67.73 -31.23 71.01 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.622 1.101 . . . . 10.0 111.343 166.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.2 -58.8 0.45 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.681 1.992 . . . . 10.0 114.694 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.153 -1.403 . . . . 10.0 111.787 177.139 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.14 133.66 47.34 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.525 -0.734 . . . . 10.0 110.957 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -109.98 -77.17 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.707 0.803 . . . . 10.0 112.228 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -151.48 87.1 1.36 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.444 0.697 . . . . 10.0 110.948 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.41 118.2 59.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.588 0.755 . . . . 10.0 112.041 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -80.38 155.01 21.68 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.977 1.785 . . . . 10.0 111.577 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.7 tp 65.74 -65.77 0.17 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.077 1.751 . . . . 10.0 113.98 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 m -63.23 84.89 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 122.718 1.247 . . . . 10.0 111.553 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.0 m -79.28 58.04 2.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.272 1.029 . . . . 10.0 113.164 -167.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.49 48.07 2.16 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.726 -0.609 . . . . 10.0 113.156 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.71 -63.03 1.45 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.602 1.161 . . . . 10.0 111.526 -172.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -45.07 62.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.654 0.782 . . . . 10.0 112.273 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -30.05 71.26 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.65 -31.93 0.52 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.543 2.337 . . . . 10.0 115.06 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 60.96 0.55 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.654 0.782 . . . . 10.0 111.631 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.755 -1.593 . . . . 10.0 112.556 -178.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 m120 52.52 -95.08 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.276 1.43 . . . . 10.0 113.116 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -81.58 -25.71 35.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.501 0.72 . . . . 10.0 112.08 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 65.92 -68.43 0.13 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.26 1.824 . . . . 10.0 111.876 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.47 124.96 77.95 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.54 1.136 . . . . 10.0 108.923 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.36 142.9 27.32 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.967 1.778 . . . . 10.0 111.715 -170.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -46.9 -38.14 22.93 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.048 2.499 . . . . 10.0 111.901 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.08 -45.89 91.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.4 -23.66 54.06 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 56.9 mt 71.3 -60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.748 2.019 . . . . 10.0 111.512 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.028 -1.463 . . . . 10.0 110.633 174.137 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.781 0.659 . . . . 10.0 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 60.1 179.0 0.09 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.1 0.96 . . . . 10.0 111.046 -164.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.14 -44.02 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 120.96 -1.087 . . . . 10.0 112.38 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 18.1 p -56.0 -64.45 0.85 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.286 1.435 . . . . 10.0 111.576 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.49 56.86 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.725 -0.55 . . . . 10.0 111.725 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.49 -56.67 18.83 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.213 1.006 . . . . 10.0 112.452 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt -61.1 -43.59 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.737 1.153 . . . . 10.0 112.391 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -40.64 24.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 p -68.18 -13.22 62.07 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.305 1.224 . . . . 10.0 114.305 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.78 70.68 0.99 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.609 1.095 . . . . 10.0 110.341 166.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.186 -1.388 . . . . 10.0 111.361 -178.056 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -143.35 76.27 1.51 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.678 1.191 . . . . 10.0 110.018 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -115.53 -32.36 5.58 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 10.0 112.269 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -147.39 -135.45 0.08 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.481 0.582 . . . . 10.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.19 159.52 30.5 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 126.25 1.82 . . . . 10.0 109.638 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.48 143.94 31.62 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 121.175 1.25 . . . . 10.0 109.551 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp 54.65 -100.46 0.11 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.726 2.01 . . . . 10.0 112.43 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.41 -25.9 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.619 -0.676 . . . . 10.0 112.02 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -74.33 73.86 1.85 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.077 0.951 . . . . 10.0 110.783 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 63.66 1.09 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.4 1.0 . . . . 10.0 112.814 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -42.3 -47.36 4.81 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.879 1.672 . . . . 10.0 115.041 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.76 -45.77 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.61 -0.681 . . . . 10.0 112.371 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -33.25 54.14 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 15.4 t -44.17 -35.59 2.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.612 1.565 . . . . 10.0 113.5 169.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.312 63.1 pttt 61.27 -52.28 0.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.24 2.616 . . . . 10.0 117.13 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.627 1.571 . . . . 10.0 112.302 -179.344 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.206 0.527 . . . . 10.0 111.129 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.46 129.81 2.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.691 0.797 . . . . 10.0 112.533 -164.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -89.85 -52.91 4.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 10.0 110.044 155.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.95 81.35 0.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.935 1.694 . . . . 10.0 112.153 -171.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.21 117.72 22.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.843 -0.536 . . . . 10.0 110.131 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.63 146.27 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.247 1.965 . . . . 10.0 111.646 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -62.71 -23.0 74.45 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.716 2.944 . . . . 10.0 112.408 -177.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.26 -46.51 17.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -96.71 14.26 25.62 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.155 0.982 . . . . 10.0 113.048 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm 68.25 -55.53 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.089 1.756 . . . . 10.0 113.367 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.872 1.669 . . . . 10.0 111.245 176.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp -79.09 160.93 26.85 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.987 0.915 . . . . 10.0 110.198 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.0 109.0 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.812 -0.555 . . . . 10.0 110.127 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 23.8 p 66.62 -58.61 0.37 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.397 1.879 . . . . 10.0 112.753 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.87 -66.47 1.76 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.628 1.108 . . . . 10.0 114.215 165.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -31.49 -65.15 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.335 2.254 . . . . 10.0 114.058 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -59.72 -44.78 94.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -33.4 33.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.4 t -58.99 -51.99 67.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.884 1.274 . . . . 10.0 111.428 172.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttm 64.67 -73.63 0.05 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.283 1.433 . . . . 10.0 114.103 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.513 1.925 . . . . 10.0 112.329 -167.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 121.72 0.771 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -69.31 77.72 0.38 Allowed 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.419 -0.8 . . . . 10.0 110.65 167.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.21 112.11 13.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.744 1.618 . . . . 10.0 112.725 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -55.72 -36.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.023 1.329 . . . . 10.0 112.188 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.78 109.74 3.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 107.273 -1.38 . . . . 10.0 107.273 162.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.77 145.89 52.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 121.231 1.475 . . . . 10.0 111.613 -165.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.8 mt 73.33 -42.14 0.52 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.669 1.729 . . . . 10.0 115.669 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.6 70.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.174 1.175 . . . . 10.0 114.174 -174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -31.06 -60.7 0.2 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.687 2.795 . . . . 10.0 114.244 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -48.02 58.25 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 123.092 0.377 . . . . 10.0 113.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.59 -48.36 40.42 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.885 -0.774 . . . . 10.0 110.63 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -57.63 -44.16 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 120.208 -0.597 . . . . 10.0 111.478 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -32.69 61.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.79 -33.65 10.83 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 10.0 113.06 169.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.313 24.4 pttm 63.13 -44.52 0.21 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.69 2.796 . . . . 10.0 117.73 169.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.414 177.473 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 70.42 -57.05 0.59 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.276 1.831 . . . . 10.0 114.399 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -84.11 -54.12 5.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.179 0.992 . . . . 10.0 110.563 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 62.87 39.86 10.18 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.158 0.983 . . . . 10.0 113.116 166.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -168.46 93.18 0.6 Allowed Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.416 1.487 . . . . 10.0 111.207 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 149.97 21.97 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.022 1.815 . . . . 10.0 110.739 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -46.98 -35.21 18.06 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.774 2.983 . . . . 10.0 113.775 170.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.01 -45.22 31.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -79.67 -18.45 51.35 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 113.404 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mm 68.36 -58.61 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.658 1.983 . . . . 10.0 111.54 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.555 -1.212 . . . . 10.0 110.475 175.135 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -48.93 -30.93 6.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.809 2.044 . . . . 10.0 116.229 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.96 -38.57 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.46 -0.775 . . . . 10.0 111.995 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.2 t -108.14 -63.37 1.33 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.266 1.026 . . . . 10.0 112.053 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.76 -11.69 7.05 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 118.648 -1.084 . . . . 10.0 114.2 -167.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.43 -56.44 15.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.908 1.854 . . . . 10.0 113.311 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -45.48 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -73.61 -41.34 62.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -51.97 -45.43 64.44 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.98 0.809 . . . . 10.0 111.633 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.274 6.6 ptpp? 66.19 -41.78 0.37 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 118.064 2.616 . . . . 10.0 118.064 163.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.233 -1.365 . . . . 10.0 112.512 -179.001 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.988 0.423 . . . . 10.0 112.094 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.72 59.37 1.18 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.178 -0.951 . . . . 10.0 111.679 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -101.54 -40.34 7.08 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.301 1.04 . . . . 10.0 111.54 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -73.8 60.28 0.71 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.738 1.615 . . . . 10.0 113.999 -163.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 p -79.57 130.2 68.84 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.48 1.112 . . . . 10.0 111.118 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -84.72 157.19 12.0 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.009 2.473 . . . . 10.0 111.335 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.98 133.74 22.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.366 0.667 . . . . 10.0 111.706 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.321 27.9 m 52.25 -69.21 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.956 2.102 . . . . 10.0 114.064 -166.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -33.64 -71.66 0.06 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.596 2.759 . . . . 10.0 114.238 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -47.62 39.35 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -40.57 -53.93 2.62 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.345 1.858 . . . . 10.0 113.701 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -58.61 -42.93 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 121.422 -0.799 . . . . 10.0 112.252 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.84 29.92 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.9 t -36.4 -47.09 0.59 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.981 1.312 . . . . 10.0 113.766 167.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -147.22 -37.19 0.21 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.167 -1.397 . . . . 10.0 111.105 -175.448 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.097 0.777 . . . . 10.0 113.097 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -56.77 139.91 49.35 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.05 157.52 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.522 0.729 . . . . 10.0 111.326 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 69.21 -54.14 0.58 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.245 1.818 . . . . 10.0 114.495 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 t -129.94 95.41 28.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.129 1.372 . . . . 10.0 109.013 174.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -81.99 149.08 15.57 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.639 2.226 . . . . 10.0 111.524 -171.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.1 -28.38 83.43 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.053 3.169 . . . . 10.0 113.25 -172.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t -68.04 -53.37 26.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -80.89 -13.43 58.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 71.98 -60.14 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.227 1.811 . . . . 10.0 110.865 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.253 1.26 0 CA-C-O 117.79 -1.1 . . . . 10.0 112.214 174.111 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.435 0.161 . . . . 10.0 111.435 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.34 161.29 30.71 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.746 -0.596 . . . . 10.0 110.355 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.62 -52.65 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.024 -1.048 . . . . 10.0 111.138 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -57.56 -62.77 1.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.788 1.235 . . . . 10.0 110.927 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.52 -50.57 3.87 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 125.526 1.536 . . . . 10.0 113.26 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.89 -62.93 1.33 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.792 1.637 . . . . 10.0 111.95 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt -62.68 -43.5 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 O-C-N 121.766 -0.584 . . . . 10.0 112.005 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -41.84 98.59 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . 0.252 1.5 p -68.51 -27.83 66.46 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.947 0.794 . . . . 10.0 112.878 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -68.53 69.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.991 0.901 . . . . 10.0 111.454 164.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.928 -1.034 . . . . 10.0 112.322 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.774 0.657 . . . . 10.0 112.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -118.04 140.0 50.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.839 0.855 . . . . 10.0 112.217 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.43 144.5 57.02 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.767 1.227 . . . . 10.0 112.02 171.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -158.81 150.65 21.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.11 0.564 . . . . 10.0 112.508 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.5 110.87 16.92 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.723 0.809 . . . . 10.0 110.008 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -81.27 162.87 19.92 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.805 2.337 . . . . 10.0 111.459 -170.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 113.239 0.829 . . . . 10.0 113.239 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.03 -9.52 31.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.25 1.42 . . . . 10.0 114.788 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 m -121.0 -76.95 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 119.797 1.18 . . . . 10.0 112.502 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 78.4 p -69.43 -46.79 65.95 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.047 -1.033 . . . . 10.0 110.78 -174.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.38 -55.62 23.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 171.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -46.4 -63.99 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.02 0.928 . . . . 10.0 112.182 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -62.15 -42.14 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.646 0.657 . . . . 10.0 112.101 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -37.77 82.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.29 61.4 0.06 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.347 1.459 . . . . 10.0 111.361 169.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -82.2 52.3 1.98 Allowed 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.785 -1.197 . . . . 10.0 112.469 -166.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.972 -1.013 . . . . 10.0 112.233 -177.265 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -74.05 63.76 0.98 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.572 -0.705 . . . . 10.0 111.547 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -53.08 61.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.413 1.885 . . . . 10.0 115.583 -168.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -81.85 82.01 7.66 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.934 0.873 . . . . 10.0 112.876 -165.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 23.7 t -56.3 125.38 65.08 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.241 1.016 . . . . 10.0 110.34 167.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -75.36 145.18 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.281 1.987 . . . . 10.0 111.21 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -46.28 -31.93 9.92 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.792 2.995 . . . . 10.0 113.496 166.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.0 -43.48 70.06 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -82.49 11.18 5.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.374 1.47 . . . . 10.0 112.968 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.8 mm 65.66 -61.32 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.254 1.821 . . . . 10.0 112.753 -170.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.012 1.725 . . . . 10.0 112.151 178.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -153.69 123.63 6.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.459 1.103 . . . . 10.0 110.113 173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t 13.29 -84.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 128.764 2.826 . . . . 10.0 116.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.1 p -58.52 -60.04 4.43 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.187 . . . . 10.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.83 49.36 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.754 1.168 . . . . 10.0 112.891 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.62 -61.58 2.33 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.409 -1.053 . . . . 10.0 110.551 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -60.06 -41.46 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 121.886 -0.509 . . . . 10.0 111.859 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -55.14 -44.92 75.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 t -51.91 -37.92 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.015 0.926 . . . . 10.0 112.435 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -72.88 67.37 0.82 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.936 0.874 . . . . 10.0 111.13 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.788 -1.577 . . . . 10.0 112.571 176.544 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.247 0.546 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.86 59.34 0.68 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.779 1.232 . . . . 10.0 111.969 -178.487 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 64.27 -67.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.712 2.005 . . . . 10.0 114.765 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -145.69 160.65 41.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.509 1.124 . . . . 10.0 112.928 -162.045 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -146.73 121.47 5.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.494 1.917 . . . . 10.0 107.576 168.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.37 151.54 26.18 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.632 2.221 . . . . 10.0 110.944 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.68 -47.47 58.87 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -72.07 -42.9 67.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.014 0.926 . . . . 10.0 111.162 -178.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 43.2 p -56.0 -39.66 72.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.009 0.433 . . . . 10.0 111.461 172.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.26 -51.3 57.54 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 119.441 -0.644 . . . . 10.0 111.991 168.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -46.82 -66.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.067 1.347 . . . . 10.0 111.611 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -64.02 -39.3 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 10.0 111.976 -171.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.26 -24.3 63.1 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.8 m -51.87 -37.09 50.88 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.52 1.055 . . . . 10.0 112.274 168.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.32 61.7 pttt 57.61 -56.84 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.355 2.662 . . . . 10.0 115.809 -176.184 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.615 -1.184 . . . . 10.0 112.078 174.728 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.679 0.276 . . . . 10.0 111.306 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.44 60.58 1.6 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.27 1.028 . . . . 10.0 111.77 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.6 -59.02 0.51 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.96 1.704 . . . . 10.0 110.07 -165.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 70.32 -58.73 0.54 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.305 2.242 . . . . 10.0 114.495 165.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -73.52 120.25 80.15 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.374 0.67 . . . . 10.0 110.508 173.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -86.68 148.59 8.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.422 2.081 . . . . 10.0 110.579 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -59.64 -31.07 93.74 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.486 2.124 . . . . 10.0 111.396 175.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -51.29 -43.83 61.73 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -91.7 3.9 54.01 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 178.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 mm 67.31 -61.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.683 1.593 . . . . 10.0 112.262 -173.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.468 1.507 . . . . 10.0 112.23 176.139 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 113.338 0.866 . . . . 10.0 113.338 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 49.0 tp 60.31 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.286 2.634 . . . . 10.0 113.707 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.18 177.82 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.694 1.198 . . . . 10.0 110.781 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 47.8 p 57.1 -122.51 1.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.715 1.206 . . . . 10.0 113.653 173.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.22 50.98 3.19 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.537 1.065 . . . . 10.0 113.443 -173.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 tp -57.21 -55.43 34.88 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.849 -0.794 . . . . 10.0 111.942 -176.143 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -59.7 -36.96 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 122.969 0.507 . . . . 10.0 112.023 177.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -41.8 96.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.34 -66.49 0.54 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.652 1.181 . . . . 10.0 112.151 178.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.88 25.78 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.343 2.657 . . . . 10.0 117.773 174.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.75 -1.595 . . . . 10.0 112.471 -172.721 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 50.91 59.25 4.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.261 1.425 . . . . 10.0 111.554 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -141.36 75.89 1.52 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.2 1.8 . . . . 10.0 111.02 -169.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.02 -121.41 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.119 0.568 . . . . 10.0 110.276 -177.038 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.55 128.14 6.44 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 119.348 0.977 . . . . 10.0 110.362 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -84.93 142.97 9.15 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.683 2.256 . . . . 10.0 110.303 176.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.339 0.59 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.59 154.16 23.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.131 0.572 . . . . 10.0 111.72 175.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t 60.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 127.042 2.137 . . . . 10.0 115.094 169.299 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -60.01 123.62 17.65 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.916 1.287 . . . . 10.0 110.859 -173.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.48 -49.44 3.03 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.245 -0.909 . . . . 10.0 111.375 -171.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.42 -59.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.723 1.209 . . . . 10.0 111.96 175.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt -58.58 -44.65 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.441 -0.787 . . . . 10.0 112.321 -175.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -62.45 -36.58 82.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -67.35 61.43 0.06 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.724 1.21 . . . . 10.0 111.679 168.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -79.16 51.69 1.21 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.635 -1.29 . . . . 10.0 113.153 -172.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.043 -1.456 . . . . 10.0 111.854 -176.65 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 70.37 -31.16 0.21 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 171.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.98 162.14 34.27 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.899 1.28 . . . . 10.0 111.69 -173.275 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 162.4 23.06 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.924 0.869 . . . . 10.0 111.878 174.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -79.29 127.89 77.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 171.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.56 133.93 29.22 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.193 1.929 . . . . 10.0 110.522 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -44.62 -33.59 6.99 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.485 3.457 . . . . 10.0 115.4 177.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t -50.16 -45.03 52.96 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -80.1 -0.28 35.08 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.701 1.001 . . . . 10.0 113.701 177.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.2 mm 68.17 -57.51 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 126.685 1.994 . . . . 10.0 112.706 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.936 -1.507 . . . . 10.0 112.991 -179.122 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 111.687 0.254 . . . . 10.0 111.687 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.61 -42.49 98.95 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 10.0 112.282 175.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t 60.3 -73.31 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 126.632 1.973 . . . . 10.0 111.442 -174.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 73.3 p -46.65 -71.22 0.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.147 1.779 . . . . 10.0 111.693 168.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.43 -41.18 24.5 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.572 1.082 . . . . 10.0 112.662 175.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.54 -59.98 4.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.823 0.812 . . . . 10.0 111.728 175.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt -59.07 -40.91 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.322 0.965 . . . . 10.0 112.026 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -37.68 82.65 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.49 -63.59 1.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.497 0.59 . . . . 10.0 111.024 170.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 tttm 60.63 -69.52 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.282 1.586 . . . . 10.0 115.282 177.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 127.203 2.201 . . . . 10.0 113.751 -169.504 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.214 0.531 . . . . 10.0 111.876 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.67 59.82 0.22 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.244 1.818 . . . . 10.0 112.829 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.5 127.49 35.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.303 1.841 . . . . 10.0 113.671 -168.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -124.82 145.49 49.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.248 1.419 . . . . 10.0 112.565 175.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.06 122.84 82.11 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.147 0.979 . . . . 10.0 110.379 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.2 137.33 28.51 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.497 2.131 . . . . 10.0 111.802 -178.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.83 66.0 6.18 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.729 -0.607 . . . . 10.0 110.236 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.6 t -41.67 -52.19 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.569 1.548 . . . . 10.0 113.529 -173.041 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.8 m -53.3 -34.51 57.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.406 1.082 . . . . 10.0 113.544 177.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.27 -48.01 5.85 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.464 1.031 . . . . 10.0 111.972 174.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -33.67 -65.18 0.19 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.237 1.815 . . . . 10.0 113.233 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.48 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -175.034 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -35.01 75.8 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 51.2 t -67.74 60.65 0.07 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.034 1.333 . . . . 10.0 111.293 169.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -82.04 58.2 3.84 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.701 -1.25 . . . . 10.0 111.839 -170.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.802 -1.571 . . . . 10.0 112.188 179.165 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.012 0.434 . . . . 10.0 111.536 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.82 111.32 8.85 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.816 -0.553 . . . . 10.0 109.687 175.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -92.33 23.99 3.63 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.48 151.82 27.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.093 1.357 . . . . 10.0 113.76 177.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.3 116.99 20.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 O-C-N 121.293 -0.879 . . . . 10.0 110.224 172.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 148.3 22.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 122.083 1.855 . . . . 10.0 111.645 -173.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.36 -37.52 14.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.627 2.885 . . . . 10.0 113.225 168.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -52.16 -43.82 64.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -74.64 -8.73 57.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.866 1.666 . . . . 10.0 113.411 177.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 mm 68.67 -56.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.422 1.889 . . . . 10.0 111.653 -168.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.348 -1.31 . . . . 10.0 110.814 177.796 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.553 0.692 . . . . 10.0 111.549 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -55.1 -37.37 66.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.302 1.041 . . . . 10.0 113.056 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.44 -52.57 58.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.403 0.547 . . . . 10.0 110.622 178.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -56.66 -50.98 70.48 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.054 -0.404 . . . . 10.0 111.108 175.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.12 27.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.41 0.529 . . . . 10.0 112.223 174.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -54.6 -59.73 4.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.644 1.178 . . . . 10.0 112.28 176.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -61.92 -43.19 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.594 0.634 . . . . 10.0 111.848 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.43 -14.58 42.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -59.35 -31.38 69.15 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.004 1.275 . . . . 10.0 111.439 167.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm 69.43 -60.81 0.46 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.965 1.706 . . . . 10.0 113.22 176.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.318 -1.325 . . . . 10.0 111.36 171.871 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -69.49 63.71 0.17 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.699 2.0 . . . . 10.0 113.815 -174.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -72.09 121.04 18.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.762 1.625 . . . . 10.0 111.63 174.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.62 157.77 37.36 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.123 -0.986 . . . . 10.0 110.157 166.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -159.46 111.83 1.51 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.319 0.647 . . . . 10.0 109.642 -176.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -85.75 154.89 10.21 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.795 2.33 . . . . 10.0 111.834 -171.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 119.725 -0.179 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.38 -45.82 78.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.501 -0.749 . . . . 10.0 111.901 170.607 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 p -154.06 151.83 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 -174.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -36.68 98.73 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 128.319 2.648 . . . . 10.0 114.74 -178.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.82 33.11 86.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.597 0.618 . . . . 10.0 114.292 176.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -42.83 -53.29 4.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.957 0.903 . . . . 10.0 113.057 177.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -42.41 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -35.46 65.3 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.1 -34.19 29.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.554 1.142 . . . . 10.0 112.746 171.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.318 7.5 ptpp? 62.09 -50.63 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.625 2.77 . . . . 10.0 117.826 168.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.503 -1.237 . . . . 10.0 112.061 177.801 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.881 0.372 . . . . 10.0 111.904 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.61 61.56 0.52 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.919 1.287 . . . . 10.0 113.022 179.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.19 71.38 1.17 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 -173.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 69.39 0.6 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.481 1.112 . . . . 10.0 110.362 172.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.15 126.89 87.47 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.666 1.186 . . . . 10.0 112.519 -174.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 155.96 8.25 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.827 2.351 . . . . 10.0 111.189 -177.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.11 -33.01 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.007 3.138 . . . . 10.0 113.79 167.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -66.37 -55.92 13.57 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -81.41 -32.29 32.81 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -173.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 mm 67.94 -60.22 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.683 1.593 . . . . 10.0 111.503 -168.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 pt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 124.059 0.944 . . . . 10.0 112.489 176.642 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.68 -68.54 0.53 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.042 0.537 . . . . 10.0 111.756 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -71.49 154.62 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.472 0.709 . . . . 10.0 111.293 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -43.77 98.85 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.926 1.69 . . . . 10.0 113.196 175.611 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.59 31.64 80.55 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 123.474 0.559 . . . . 10.0 114.157 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -38.48 -52.25 1.58 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.81 1.644 . . . . 10.0 113.218 177.523 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt -57.2 -43.15 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.526 -0.734 . . . . 10.0 112.773 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.88 -46.35 62.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 32.3 t -56.18 -61.18 2.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.401 1.48 . . . . 10.0 113.927 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 pttm 22.04 78.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.78 2.141 . . . . 10.0 116.78 177.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--O 1.252 1.208 0 O-C-N 120.645 -1.284 . . . . 10.0 111.397 -179.682 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.755 0 N-CA-C 111.281 -0.315 . . . . 10.0 111.281 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 119.486 -0.292 . . . . 10.0 111.731 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 N-CA-C 114.67 0.989 . . . . 10.0 114.67 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 111.092 -0.388 . . . . 10.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 112.187 0.439 . . . . 10.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.536 0.605 0 N-CA-C 114.116 0.775 . . . . 10.0 114.116 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.456 -0.705 0 N-CA-C 111.263 -0.322 . . . . 10.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 CA-C-O 120.632 0.18 . . . . 10.0 111.803 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 CA--C 1.539 0.753 0 N-CA-C 111.354 -0.287 . . . . 10.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 12' ' ' LEU . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 N-CA-C 111.323 -0.299 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 119.455 -0.307 . . . . 10.0 111.556 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.538 0.69 0 CA-C-O 120.001 -0.083 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 CA-C-O 120.412 0.088 . . . . 10.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 CA-C-O 119.345 -0.356 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.421 0.092 . . . . 10.0 111.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.415 . . . . 10.0 112.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.54 0.78 0 CA-C-O 119.016 -0.493 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.458 -0.593 0 N-CA-C 110.939 -0.447 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 112.804 0.271 . . . . 10.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.459 -0.559 0 N-CA-C 112.657 0.214 . . . . 10.0 112.657 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 111.873 0.323 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.341 -1.061 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.98 0.733 . . . . 10.0 112.98 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 CA--C 1.535 0.558 0 CA-C-O 121.091 0.371 . . . . 10.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 111.761 0.282 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 119.571 -0.262 . . . . 10.0 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.655 0.242 . . . . 10.0 111.655 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 110.529 -0.604 . . . . 10.0 110.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 119.399 -0.334 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 CA-C-O 121.148 0.395 . . . . 10.0 111.22 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.395 -0.656 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 119.916 -0.088 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 113.211 0.427 . . . . 10.0 113.211 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 110.642 -0.561 . . . . 10.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 112.868 0.296 . . . . 10.0 112.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.542 0.915 0 CA-C-O 119.611 -0.245 . . . . 10.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 111.646 -0.175 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 CA-C-O 119.386 -0.339 . . . . 10.0 111.637 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 114.161 0.793 . . . . 10.0 114.161 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.54 0.797 0 CA-C-O 119.628 -0.238 . . . . 10.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 CA-C-O 120.752 0.23 . . . . 10.0 111.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.794 0 N-CA-C 109.551 -0.98 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 CA--C 1.536 0.599 0 CA-C-O 120.629 0.179 . . . . 10.0 112.408 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 CA-C-O 119.204 -0.415 . . . . 10.0 111.613 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.478 0.177 . . . . 10.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.775 0.644 . . . . 10.0 113.775 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 111.335 -0.294 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 N-CA-C 113.25 0.442 . . . . 10.0 113.25 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 111.459 -0.246 . . . . 10.0 111.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' H ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 113.496 0.537 . . . . 10.0 113.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 110.944 -0.445 . . . . 10.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 CA-C-O 121.043 0.351 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.303 -0.691 . . . . 10.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 115.4 1.269 . . . . 10.0 115.4 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.538 0.723 0 CA-C-O 119.06 -0.475 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.533 0.463 0 N-CA-C 113.225 0.433 . . . . 10.0 113.225 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.54 0.819 0 CA-C-O 119.26 -0.392 . . . . 10.0 111.834 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 CA--C 1.536 0.585 0 N-CA-C 113.79 0.65 . . . . 10.0 113.79 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.883 0.373 . . . . 10.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.97 -51.07 69.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.92 0.888 . . . . 10.0 112.648 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.17 65.33 0.73 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.133 0.973 . . . . 10.0 110.641 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -79.83 133.64 36.29 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.842 -0.536 . . . . 10.0 111.401 -175.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 t 66.19 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.142 1.377 . . . . 10.0 110.45 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.8 164.07 15.95 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.499 2.132 . . . . 10.0 111.281 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.93 -58.07 9.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.643 1.177 . . . . 10.0 113.272 -171.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.73 -41.37 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 122.619 0.368 . . . . 10.0 111.625 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.91 -51.4 63.86 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.946 0.498 . . . . 10.0 110.843 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.25 -51.57 30.63 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 123.626 0.631 . . . . 10.0 112.063 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.63 -56.18 25.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.284 0.542 . . . . 10.0 112.143 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt -62.13 -38.04 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.66 -0.65 . . . . 10.0 111.731 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.9 61.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -46.63 -40.05 12.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.35 1.06 . . . . 10.0 112.907 169.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 70.49 -56.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.146 1.778 . . . . 10.0 115.336 167.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.919 -1.515 . . . . 10.0 113.141 -176.345 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.6 26.13 0.39 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.9 -73.04 0.55 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.036 1.334 . . . . 10.0 110.295 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.66 146.78 48.93 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.671 1.188 . . . . 10.0 109.747 -175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t 56.15 64.83 4.72 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 10.0 109.149 -163.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.78 160.03 50.74 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.56 2.173 . . . . 10.0 111.899 -167.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.57 -39.57 6.99 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.888 3.725 . . . . 10.0 114.67 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.08 -10.19 4.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm 78.78 28.97 0.41 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.91 2.084 . . . . 10.0 112.403 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mm -73.94 -39.45 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.801 -0.562 . . . . 10.0 111.14 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.104 -1.427 . . . . 10.0 110.957 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -35.85 21.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.068 1.747 . . . . 10.0 113.185 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -53.06 -24.6 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p 71.03 170.18 0.32 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.142 1.777 . . . . 10.0 113.099 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.93 -55.57 3.07 Favored Glycine 0 CA--C 1.535 1.314 0 O-C-N 121.118 -0.988 . . . . 10.0 113.231 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -28.28 -64.96 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.878 2.471 . . . . 10.0 114.275 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -58.07 -41.06 79.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -59.13 -17.93 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.89 -28.95 62.52 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.553 1.07 . . . . 10.0 112.114 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 62.21 -48.33 0.17 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.651 2.78 . . . . 10.0 117.158 170.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.432 -1.27 . . . . 10.0 110.991 169.344 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.425 0.155 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 68.8 -39.93 0.43 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -127.52 157.86 38.98 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.967 1.707 . . . . 10.0 109.419 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.62 179.33 4.79 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.117 0.96 . . . . 10.0 112.521 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 p -150.57 122.34 4.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 125.174 1.39 . . . . 10.0 107.486 158.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.47 152.04 43.09 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 121.993 1.796 . . . . 10.0 111.092 -170.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.76 0.314 . . . . 10.0 111.763 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.68 -70.24 0.47 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -168.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.85 -42.22 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 O-C-N 121.529 -0.732 . . . . 10.0 111.654 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -54.9 -57.82 10.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.51 1.124 . . . . 10.0 110.752 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.23 -49.45 19.06 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 123.882 0.753 . . . . 10.0 113.14 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.46 -60.65 3.03 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.987 0.915 . . . . 10.0 112.04 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt -62.0 -41.15 89.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 121.458 -0.776 . . . . 10.0 112.187 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -58.11 -33.23 68.89 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -47.58 -40.43 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.751 0.82 . . . . 10.0 112.456 168.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt 69.51 -57.47 0.54 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.112 1.765 . . . . 10.0 115.703 166.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.06 -1.447 . . . . 10.0 113.126 -175.71 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.74 70.15 1.86 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.678 0.791 . . . . 10.0 111.474 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -71.21 -8.95 57.05 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 66.47 -53.86 0.42 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.823 2.049 . . . . 10.0 113.32 -170.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.91 111.27 4.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.645 1.578 . . . . 10.0 108.653 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.41 142.79 27.06 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.012 1.808 . . . . 10.0 110.861 -171.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.13 -35.87 11.25 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.988 3.125 . . . . 10.0 114.116 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t -74.47 2.65 9.08 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 66.91 32.69 6.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.18 1.792 . . . . 10.0 113.13 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mm -91.66 -30.14 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 121.912 -0.493 . . . . 10.0 111.708 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.775 -1.107 . . . . 10.0 112.218 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.7 t30 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.3 -49.46 72.08 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.814 . . . . 10.0 112.295 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.66 66.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 122.835 1.303 . . . . 10.0 110.348 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t 168.99 -60.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 129.766 3.226 . . . . 10.0 107.504 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.36 -48.74 53.64 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.229 0.919 . . . . 10.0 112.614 173.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.93 -62.72 1.47 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 117.753 0.776 . . . . 10.0 111.594 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt -58.85 -43.41 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.084 -0.385 . . . . 10.0 111.782 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -42.82 85.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 t -57.92 -70.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.394 1.078 . . . . 10.0 111.927 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 pttm 32.04 41.69 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.266 1.826 . . . . 10.0 115.222 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.806 -1.092 . . . . 10.0 113.391 -164.255 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -74.4 64.17 1.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.513 0.597 . . . . 10.0 112.113 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -117.14 155.3 29.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.84 1.656 . . . . 10.0 110.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -76.94 76.34 3.51 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.065 -1.022 . . . . 10.0 112.105 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.6 t -42.11 107.74 0.55 Allowed Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.336 1.454 . . . . 10.0 111.658 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.53 153.19 13.63 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.314 2.009 . . . . 10.0 111.263 -170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.701 0.259 . . . . 10.0 111.701 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 tp 65.17 -68.27 0.11 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.979 1.712 . . . . 10.0 113.541 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.96 -70.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.229 1.012 . . . . 10.0 111.35 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.63 -29.08 67.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 10.0 110.307 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.57 -50.2 4.8 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 126.23 1.871 . . . . 10.0 113.722 175.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.18 -63.03 1.27 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.759 0.78 . . . . 10.0 111.564 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt -63.15 -41.83 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.659 -0.651 . . . . 10.0 112.372 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -71.98 -8.32 53.81 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 p -57.56 -32.51 67.19 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.294 1.406 . . . . 10.0 112.658 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -72.32 66.58 0.67 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.324 0.649 . . . . 10.0 110.642 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.736 -1.602 . . . . 10.0 112.548 179.302 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.246 0.07 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -110.66 -172.97 2.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 10.0 112.763 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -55.32 -30.51 60.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.719 1.208 . . . . 10.0 113.248 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -92.2 -71.12 0.66 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.336 1.054 . . . . 10.0 111.404 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.3 124.08 76.38 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 121.26 -0.9 . . . . 10.0 111.869 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.57 161.1 34.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.402 2.734 . . . . 10.0 111.882 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.47 -42.22 23.07 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.183 2.589 . . . . 10.0 111.803 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t -48.42 -46.48 37.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -85.75 4.49 36.54 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.624 0.972 . . . . 10.0 113.624 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mm 67.71 -62.88 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.231 1.812 . . . . 10.0 112.494 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.696 -1.145 . . . . 10.0 111.982 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.998 0.428 . . . . 10.0 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.08 137.66 58.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.887 0.475 . . . . 10.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 19.5 m -74.02 63.02 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.533 1.133 . . . . 10.0 112.997 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -35.31 -63.67 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 127.966 2.506 . . . . 10.0 113.006 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.56 17.4 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.709 1.147 . . . . 10.0 113.551 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 tp -69.39 -50.36 46.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.932 0.866 . . . . 10.0 111.327 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt -61.1 -39.82 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.464 -0.773 . . . . 10.0 111.866 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -52.29 -33.22 41.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.9 t -43.96 -37.86 3.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.899 1.28 . . . . 10.0 114.236 170.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -151.71 -39.6 0.12 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 125.02 1.328 . . . . 10.0 111.168 -168.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.045 -0.502 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 67.6 -52.05 0.5 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.303 1.841 . . . . 10.0 114.696 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -55.15 0.61 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.48 1.512 . . . . 10.0 111.769 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.4 139.4 29.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.929 0.891 . . . . 10.0 112.096 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.46 119.59 66.64 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -72.61 150.81 51.65 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.07 1.847 . . . . 10.0 111.354 -171.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 12' ' ' LEU . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.45 -72.55 0.05 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.222 2.209 . . . . 10.0 113.763 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -153.0 149.69 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.292 1.037 . . . . 10.0 110.809 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.5 p -167.3 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.279 1.432 . . . . 10.0 109.547 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.58 53.19 4.24 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.219 -0.926 . . . . 10.0 113.926 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.04 -56.87 11.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.586 1.154 . . . . 10.0 110.437 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.35 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.807 0.843 . . . . 10.0 112.332 175.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -35.32 63.43 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -50.37 -32.87 18.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.816 1.247 . . . . 10.0 112.71 170.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 72.93 -52.82 0.71 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.357 1.863 . . . . 10.0 115.027 166.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.605 -1.664 . . . . 10.0 113.111 -179.281 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -65.3 90.4 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -124.51 135.71 53.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.653 1.581 . . . . 10.0 107.46 160.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 64.6 -66.66 0.12 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.037 1.335 . . . . 10.0 111.562 -167.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.31 113.73 10.52 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.054 1.342 . . . . 10.0 110.135 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.65 146.97 50.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.274 1.983 . . . . 10.0 111.947 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -57.15 -34.34 97.56 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.055 2.503 . . . . 10.0 111.323 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.73 -49.44 19.57 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -83.56 -7.15 59.58 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm 67.43 -55.23 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.854 1.662 . . . . 10.0 111.735 -170.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.077 1.751 . . . . 10.0 108.656 167.38 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.4 tp -56.8 142.91 39.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.637 0.775 . . . . 10.0 111.573 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -42.76 -50.68 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.409 1.484 . . . . 10.0 113.404 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 33.2 p -52.74 -66.95 0.3 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.181 0.992 . . . . 10.0 111.711 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.7 -52.3 9.48 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.693 1.139 . . . . 10.0 112.587 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 tp -48.47 -65.35 0.58 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.387 1.475 . . . . 10.0 111.972 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.16 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 O-C-N 121.911 -0.493 . . . . 10.0 111.556 -175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -16.98 13.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.49 -34.4 72.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.388 1.449 . . . . 10.0 111.631 170.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 68.54 -54.29 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.156 1.782 . . . . 10.0 113.58 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.363 -1.78 . . . . 10.0 113.093 177.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.09 45.28 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.503 1.921 . . . . 10.0 113.177 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -58.58 0.4 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.307 2.243 . . . . 10.0 112.066 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.27 -53.96 5.36 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -95.23 117.42 66.72 Favored Pre-proline 0 CA--C 1.543 0.689 0 O-C-N 121.506 -0.746 . . . . 10.0 111.049 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -82.97 159.87 15.78 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.426 2.751 . . . . 10.0 111.969 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt 31.36 -89.26 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.452 2.701 . . . . 10.0 115.388 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.2 m -51.73 -37.49 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.025 0.93 . . . . 10.0 112.22 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -57.6 -58.24 9.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.214 1.005 . . . . 10.0 110.615 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.22 44.0 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.023 0.82 . . . . 10.0 111.931 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.4 -55.92 23.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 117.693 0.746 . . . . 10.0 112.316 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -63.65 -39.52 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.398 -0.814 . . . . 10.0 112.514 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 -35.28 58.18 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -65.01 -67.3 0.45 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.32 0.648 . . . . 10.0 110.999 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? 59.86 -73.38 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.52 1.928 . . . . 10.0 115.143 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.484 1.914 . . . . 10.0 113.867 -167.474 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 67.62 -177.74 0.21 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.929 1.292 . . . . 10.0 111.05 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -9.29 99.73 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.141 2.576 . . . . 10.0 115.991 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 142.92 58.25 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 165.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -132.68 90.84 31.66 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 123.563 0.745 . . . . 10.0 109.846 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.87 147.67 34.87 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.274 1.983 . . . . 10.0 111.482 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -58.26 -32.15 95.25 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.141 2.56 . . . . 10.0 112.06 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -66.05 -54.4 26.38 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -85.01 -21.19 29.55 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.017 1.117 . . . . 10.0 114.017 -173.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm 68.91 -62.2 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 125.957 1.703 . . . . 10.0 111.253 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.866 -1.064 . . . . 10.0 112.002 173.797 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.03 -42.14 84.7 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -173.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.91 -31.2 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 -168.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -133.35 -44.93 0.83 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.077 0.951 . . . . 10.0 113.241 -173.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.25 66.53 3.18 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 123.826 0.727 . . . . 10.0 113.712 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -45.48 -57.63 3.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.354 1.462 . . . . 10.0 110.436 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.08 76.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 177.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -31.79 41.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -45.56 -27.39 0.74 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.047 1.339 . . . . 10.0 113.597 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -68.17 65.77 0.1 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.355 -0.841 . . . . 10.0 111.367 164.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.962 -1.018 . . . . 10.0 112.483 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.67 69.06 3.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.36 -0.837 . . . . 10.0 111.687 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.4 ttp-105 69.21 -42.44 0.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.578 2.351 . . . . 10.0 114.811 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 68.54 -59.49 0.45 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.155 1.782 . . . . 10.0 112.245 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.99 107.55 38.23 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.145 0.978 . . . . 10.0 111.45 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.04 142.22 21.71 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.161 1.907 . . . . 10.0 111.545 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 111.772 0.286 . . . . 10.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.3 -14.71 28.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.24 -25.12 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 O-C-N 121.229 -0.92 . . . . 10.0 111.918 167.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -63.53 74.23 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.277 1.431 . . . . 10.0 112.318 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.51 22.57 5.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.652 1.596 . . . . 10.0 113.229 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -34.43 -60.41 0.42 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.609 1.963 . . . . 10.0 113.133 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.73 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.69 -36.16 34.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 31.7 t -47.78 -49.41 28.79 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.471 0.915 . . . . 10.0 113.471 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -161.78 25.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -167.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.44 -1.267 . . . . 10.0 110.088 175.831 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.657 -0.211 . . . . 10.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 64.66 -58.04 0.25 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 10.0 114.852 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 71.12 -59.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.96 1.704 . . . . 10.0 112.849 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 92.26 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.283 1.033 . . . . 10.0 110.969 175.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.15 114.36 11.39 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.441 1.096 . . . . 10.0 110.213 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.78 130.62 5.91 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.064 1.843 . . . . 10.0 111.833 -166.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -60.27 -30.54 91.36 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.742 2.294 . . . . 10.0 111.891 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -48.56 -43.68 35.92 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -70.61 -17.14 62.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.0 mt 70.74 -55.21 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.699 2.0 . . . . 10.0 112.588 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.168 0 CA-C-O 116.919 -1.515 . . . . 10.0 112.167 173.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.845 0.355 . . . . 10.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 92.6 mt -124.4 -55.12 1.66 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.3 1.84 . . . . 10.0 109.635 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -49.18 -44.21 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 10.0 112.252 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 30.3 m 66.04 89.74 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.16 64.06 0.98 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.588 -0.695 . . . . 10.0 112.792 173.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -48.29 -64.61 0.75 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.197 1.799 . . . . 10.0 112.538 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt -61.32 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.994 -0.441 . . . . 10.0 112.119 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.67 73.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 t -49.6 -43.81 46.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.574 0.624 . . . . 10.0 112.002 171.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 tptp 69.23 -57.65 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 164.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.936 -1.506 . . . . 10.0 113.139 -174.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.02 111.45 1.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.887 0.475 . . . . 10.0 111.41 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.21 -58.02 0.42 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.329 1.452 . . . . 10.0 112.508 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.42 -173.96 4.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.188 0.995 . . . . 10.0 112.754 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.3 t -121.02 126.14 26.74 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 125.716 1.607 . . . . 10.0 106.938 165.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.51 134.27 24.04 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.921 1.747 . . . . 10.0 111.01 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.382 0.134 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.93 -57.39 12.83 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.849 -0.532 . . . . 10.0 112.24 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.08 162.3 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.375 1.07 . . . . 10.0 110.223 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m 69.67 -64.12 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.136 1.775 . . . . 10.0 113.756 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.45 -43.19 6.06 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.808 1.194 . . . . 10.0 112.412 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 26.3 tp -12.11 -62.45 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 129.033 2.933 . . . . 10.0 115.26 165.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt -64.07 -45.54 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 118.988 0.813 . . . . 10.0 112.337 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -57.62 -30.23 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.03 -42.31 13.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.96 0.904 . . . . 10.0 112.688 167.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt 69.66 -55.43 0.58 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.302 1.841 . . . . 10.0 115.904 167.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 124.877 1.271 . . . . 10.0 113.536 -174.756 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -74.81 59.28 0.87 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.052 1.13 . . . . 10.0 114.052 -170.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 45.09 58.46 4.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.437 1.495 . . . . 10.0 112.068 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.58 63.42 5.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.69 0.796 . . . . 10.0 111.358 -171.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.404 HG23 ' H ' ' C' ' 5' ' ' VAL . 21.7 t -24.56 104.69 0.12 Allowed Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 128.146 2.578 . . . . 10.0 113.709 -171.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.24 150.65 33.25 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.607 2.205 . . . . 10.0 112.122 -167.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -56.61 -36.88 98.38 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.79 2.326 . . . . 10.0 110.939 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t -48.79 -49.1 40.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.59 10.81 8.26 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 66.96 -60.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.512 1.925 . . . . 10.0 112.463 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.547 1.139 . . . . 10.0 111.489 175.373 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.054 0.761 . . . . 10.0 113.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 tt -40.96 -39.78 1.25 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.764 2.026 . . . . 10.0 113.997 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -42.69 -42.47 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.656 1.182 . . . . 10.0 113.609 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.2 p -58.15 -63.77 1.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.307 0.643 . . . . 10.0 111.553 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.56 12.21 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.121 1.343 . . . . 10.0 112.51 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.08 -59.43 5.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.572 0.686 . . . . 10.0 112.429 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.63 -39.91 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 119.3 0.955 . . . . 10.0 111.689 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -17.48 20.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -61.3 -25.99 67.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.847 1.203 . . . . 10.0 112.057 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.326 24.2 pttm 61.31 -49.86 0.12 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.551 2.741 . . . . 10.0 115.487 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.252 1.212 0 CA-C-O 116.817 -1.564 . . . . 10.0 112.031 172.618 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.55 65.28 1.75 Allowed 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.433 -0.792 . . . . 10.0 110.613 174.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -65.48 176.93 1.28 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.329 0.652 . . . . 10.0 111.311 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.49 -33.6 66.13 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.775 -0.578 . . . . 10.0 111.519 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -142.7 119.73 7.0 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.895 1.278 . . . . 10.0 109.074 163.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.9 160.98 47.57 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.887 2.391 . . . . 10.0 112.804 -165.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.512 0.672 . . . . 10.0 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.55 -42.73 62.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.984 1.314 . . . . 10.0 112.306 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.29 -53.75 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.773 -0.579 . . . . 10.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -56.95 -46.71 81.93 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.061 -0.399 . . . . 10.0 111.387 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.02 17.31 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.798 0.714 . . . . 10.0 112.002 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -51.43 -60.41 3.17 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.048 1.339 . . . . 10.0 111.999 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt -62.5 -43.2 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.285 0.493 . . . . 10.0 112.208 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -59.73 -4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 85.7 m -53.65 -40.17 65.65 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.195 1.361 . . . . 10.0 111.73 161.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -144.86 -37.38 0.29 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.662 0.986 . . . . 10.0 113.662 -172.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.725 1.61 . . . . 10.0 111.754 -175.151 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -155.2 -174.55 5.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.624 1.17 . . . . 10.0 111.873 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -51.82 -46.0 64.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.567 1.547 . . . . 10.0 113.932 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.38 -45.98 13.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.215 1.006 . . . . 10.0 111.656 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.95 93.91 8.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.896 0.878 . . . . 10.0 109.603 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.02 160.9 33.24 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.972 1.781 . . . . 10.0 113.809 -162.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.64 -46.44 14.95 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 124.013 3.142 . . . . 10.0 112.657 167.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -48.82 -46.54 42.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -81.75 -3.75 54.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.286 1.217 . . . . 10.0 114.286 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 36.7 mm 65.47 -64.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.819 1.648 . . . . 10.0 111.679 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.351 -1.309 . . . . 10.0 111.039 175.192 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 119.242 -0.408 . . . . 10.0 111.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.62 -166.85 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.73 -43.86 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 121.094 -1.004 . . . . 10.0 112.527 171.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -48.5 -38.72 20.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.716 1.206 . . . . 10.0 113.194 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.92 35.1 4.86 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 123.727 0.68 . . . . 10.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.9 -55.19 29.18 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.131 0.972 . . . . 10.0 110.421 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt -54.7 -42.34 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.41 0.684 . . . . 10.0 111.873 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -67.79 -40.87 83.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -38.94 -56.34 1.41 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.746 1.618 . . . . 10.0 113.659 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 25.45 68.35 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.021 2.128 . . . . 10.0 115.442 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.02 -1.467 . . . . 10.0 111.454 176.136 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.64 57.18 1.98 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.701 0.8 . . . . 10.0 112.98 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.67 67.02 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.22 -0.925 . . . . 10.0 112.05 167.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 65.25 -77.86 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.726 1.61 . . . . 10.0 114.084 166.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 m -47.36 105.11 0.45 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 126.331 1.852 . . . . 10.0 114.57 -169.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.97 149.32 28.8 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 121.537 1.492 . . . . 10.0 109.341 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt 17.19 -92.2 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.621 2.768 . . . . 10.0 115.451 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -49.34 -40.67 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.327 1.051 . . . . 10.0 113.114 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.6 p -87.39 -44.67 11.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.427 1.091 . . . . 10.0 111.145 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.34 70.14 1.63 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.983 0.802 . . . . 10.0 112.49 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -52.73 3.52 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.394 1.078 . . . . 10.0 112.462 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -59.26 -39.52 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 10.0 112.98 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -37.78 64.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 16.2 t -55.71 -30.56 61.35 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.067 1.347 . . . . 10.0 113.469 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.17 66.42 1.68 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.09 0.947 . . . . 10.0 111.033 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.251 1.15 0 CA-C-O 116.796 -1.573 . . . . 10.0 112.072 175.376 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -35.46 -47.67 0.45 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.576 2.35 . . . . 10.0 114.421 -171.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -130.95 63.29 1.6 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.286 1.434 . . . . 10.0 109.777 173.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.92 50.62 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 10.0 114.025 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 179.55 115.05 0.2 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 127.448 2.299 . . . . 10.0 108.173 -175.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.29 142.75 19.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.814 1.676 . . . . 10.0 110.923 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.25 -39.82 21.42 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 123.33 2.686 . . . . 10.0 112.566 166.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.92 -43.23 77.15 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.48 11.87 9.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 68.48 -60.14 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.629 1.972 . . . . 10.0 112.785 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.177 -1.392 . . . . 10.0 110.453 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.77 155.8 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.515 1.526 . . . . 10.0 111.283 -166.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.18 -50.26 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.612 -1.305 . . . . 10.0 112.314 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 24.0 p -55.75 -63.42 1.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.39 1.476 . . . . 10.0 111.584 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.03 -45.91 50.73 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.145 0.878 . . . . 10.0 112.452 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.54 -60.61 3.29 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.049 0.925 . . . . 10.0 112.364 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt -61.52 -41.07 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 121.55 -0.719 . . . . 10.0 111.761 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -72.28 -48.41 42.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.1 p -69.01 153.98 42.86 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 -171.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -157.34 128.38 6.7 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.718 0.807 . . . . 10.0 111.016 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.143 -1.408 . . . . 10.0 110.969 176.835 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.66 73.81 3.34 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.292 -0.88 . . . . 10.0 111.008 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -127.06 136.8 52.68 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.634 1.174 . . . . 10.0 113.46 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -123.38 -119.94 0.28 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.692 1.997 . . . . 10.0 107.881 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -170.73 99.45 0.43 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.486 1.514 . . . . 10.0 108.745 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.51 155.46 31.89 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 121.67 1.58 . . . . 10.0 111.758 -169.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt 46.51 -114.27 0.5 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.879 1.272 . . . . 10.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.96 -54.29 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.192 0.997 . . . . 10.0 112.075 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -69.65 87.24 0.49 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.358 1.463 . . . . 10.0 109.566 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.39 -63.63 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.575 1.559 . . . . 10.0 109.259 -168.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.55 -56.74 13.18 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.269 1.027 . . . . 10.0 111.906 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -60.34 -41.41 87.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.944 0.793 . . . . 10.0 111.655 -173.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.42 -33.05 63.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.9 -40.27 9.85 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 59.96 -47.09 0.09 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.551 3.141 . . . . 10.0 118.304 169.002 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.342 -1.313 . . . . 10.0 112.637 -178.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.254 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -62.12 110.25 1.54 Allowed 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.268 -1.52 . . . . 10.0 111.52 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -129.52 136.81 50.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.48 1.912 . . . . 10.0 108.771 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 58.96 -65.39 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.057 1.743 . . . . 10.0 112.534 -162.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -79.73 116.97 64.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.061 1.744 . . . . 10.0 110.423 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.64 158.0 28.37 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.31 2.674 . . . . 10.0 112.058 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -59.95 -32.37 94.98 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.792 2.328 . . . . 10.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -46.44 -53.16 11.65 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.0 -14.4 62.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.075 1.35 . . . . 10.0 113.274 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm 68.35 -61.46 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.651 1.981 . . . . 10.0 110.84 -170.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.186 -1.388 . . . . 10.0 110.331 174.573 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.195 0.045 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 mt 69.85 -58.75 0.52 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.686 1.594 . . . . 10.0 112.328 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.31 -41.73 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.471 0.709 . . . . 10.0 111.666 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 31.3 p -51.42 -60.55 3.01 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.879 1.272 . . . . 10.0 111.217 171.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.83 -52.78 11.05 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.785 1.184 . . . . 10.0 112.384 173.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.49 -59.96 3.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.913 0.885 . . . . 10.0 112.142 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt -62.06 -40.11 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.464 -0.772 . . . . 10.0 112.112 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -41.36 86.94 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -61.81 145.14 53.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.168 0.987 . . . . 10.0 112.933 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.78 68.4 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 10.0 110.761 173.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.941 -1.504 . . . . 10.0 111.662 -176.42 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -73.14 67.03 0.89 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 122.226 1.012 . . . . 10.0 112.377 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -78.36 58.91 2.23 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.564 1.546 . . . . 10.0 111.67 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.4 102.5 14.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.815 1.246 . . . . 10.0 110.179 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -44.37 115.44 2.26 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.745 1.218 . . . . 10.0 112.166 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.68 148.02 20.0 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.377 2.052 . . . . 10.0 111.396 -171.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt 68.19 -62.42 0.36 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.03 1.332 . . . . 10.0 111.551 -169.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.67 80.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.985 1.314 . . . . 10.0 111.908 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 m 110.21 -17.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 130.008 3.323 . . . . 10.0 113.351 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.26 75.03 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.594 1.093 . . . . 10.0 110.667 169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -30.55 -61.15 0.18 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.473 2.309 . . . . 10.0 113.772 -173.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt -58.0 -42.1 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.42 -41.17 89.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.265 19.2 p -73.66 65.44 0.98 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.91 1.338 . . . . 10.0 112.019 171.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -77.55 59.34 1.91 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.453 1.501 . . . . 10.0 112.721 -170.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.253 1.278 0 CA-C-O 117.173 -1.394 . . . . 10.0 110.789 174.247 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 59.71 1.31 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.183 0.993 . . . . 10.0 111.26 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.3 -59.61 3.07 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -170.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.68 -65.82 0.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.783 1.233 . . . . 10.0 113.342 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.46 114.79 26.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.444 1.098 . . . . 10.0 112.518 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.67 160.97 31.15 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.327 2.018 . . . . 10.0 111.094 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -58.31 -28.77 85.8 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.672 2.248 . . . . 10.0 111.22 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.36 -55.33 25.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -85.85 -33.6 21.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.18 0.992 . . . . 10.0 113.415 -167.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm 67.39 -61.61 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.721 1.608 . . . . 10.0 111.375 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 123.96 0.904 . . . . 10.0 111.891 174.452 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.6 153.59 19.56 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.875 -0.515 . . . . 10.0 111.899 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 160.14 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.807 0.843 . . . . 10.0 112.526 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 69.47 1.12 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.924 0.89 . . . . 10.0 112.213 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.66 62.06 1.2 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.132 0.872 . . . . 10.0 111.92 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -43.1 -57.52 2.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.884 1.674 . . . . 10.0 114.007 -165.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -53.79 -42.34 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.05 -21.61 61.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 24.0 m -58.72 -37.81 76.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.761 1.164 . . . . 10.0 111.56 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 63.83 -66.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.706 2.002 . . . . 10.0 113.656 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.913 1.685 . . . . 10.0 112.307 179.174 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -57.04 -63.14 1.31 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.056 0.942 . . . . 10.0 112.087 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -84.66 66.08 9.38 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.132 -0.98 . . . . 10.0 111.526 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.88 -69.83 0.05 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.582 1.953 . . . . 10.0 114.637 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -78.05 119.76 78.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.295 -0.878 . . . . 10.0 109.499 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.48 142.75 11.91 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.331 2.021 . . . . 10.0 110.395 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.749 0.278 . . . . 10.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.34 73.63 1.34 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.868 0.867 . . . . 10.0 111.634 -174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 44.9 t 64.8 -70.25 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.945 2.098 . . . . 10.0 112.01 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 52.6 p -32.58 -68.87 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.086 2.154 . . . . 10.0 112.905 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.2 -35.65 55.44 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.369 0.985 . . . . 10.0 113.73 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 tp -71.02 -53.8 13.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.314 1.057 . . . . 10.0 110.854 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt -59.88 -40.79 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 121.634 -0.666 . . . . 10.0 111.051 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -40.83 79.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.262 1.4 p -69.43 -32.7 71.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.631 0.651 . . . . 10.0 112.362 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -69.82 71.92 0.37 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.37 1.081 . . . . 10.0 111.272 161.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.787 -1.578 . . . . 10.0 112.541 173.11 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.928 0.394 . . . . 10.0 111.757 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 142.88 47.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.577 0.751 . . . . 10.0 111.905 175.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -44.18 109.23 0.14 Allowed 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -169.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.44 33.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.508 1.669 . . . . 10.0 115.508 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -177.67 104.08 0.22 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 127.091 2.156 . . . . 10.0 109.264 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.4 157.9 29.24 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.204 1.936 . . . . 10.0 111.494 -174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.27 -34.3 48.76 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.771 2.981 . . . . 10.0 113.211 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -51.27 -46.48 62.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -73.63 -6.12 44.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.574 1.549 . . . . 10.0 113.348 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mm 68.63 -63.82 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.032 1.733 . . . . 10.0 111.275 -171.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.707 -1.616 . . . . 10.0 112.245 178.61 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.793 0.33 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 85.4 mt -123.76 170.26 10.7 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.114 1.766 . . . . 10.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.13 -44.42 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 O-C-N 121.44 -0.788 . . . . 10.0 112.249 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.4 p -55.29 -63.11 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.251 1.421 . . . . 10.0 111.204 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -50.8 14.0 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.652 1.12 . . . . 10.0 112.299 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.75 -64.04 0.93 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.953 0.901 . . . . 10.0 112.082 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -57.64 -43.93 84.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 120.203 1.365 . . . . 10.0 112.436 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -14.61 14.13 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 36.1 m -64.42 -32.86 74.66 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.113 1.324 . . . . 10.0 111.125 169.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 64.59 -65.21 0.14 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.878 2.071 . . . . 10.0 114.216 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.548 1.539 . . . . 10.0 111.688 179.581 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -68.97 89.91 0.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 112.973 -171.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 mmt-85 -68.53 66.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.761 1.225 . . . . 10.0 113.695 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -87.81 -123.22 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.804 1.242 . . . . 10.0 110.474 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -168.99 133.17 1.27 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.371 1.069 . . . . 10.0 109.309 -173.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.18 146.19 6.36 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.572 2.181 . . . . 10.0 110.642 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.4 mt -36.39 -45.54 0.49 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.328 1.851 . . . . 10.0 115.317 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.03 -25.9 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.6 p -40.76 -70.35 0.11 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.966 1.706 . . . . 10.0 114.198 -170.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.82 -55.92 7.92 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.504 1.049 . . . . 10.0 111.955 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.5 tp -52.01 -57.25 10.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.051 0.94 . . . . 10.0 112.324 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -63.07 -42.03 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.05 0.841 . . . . 10.0 112.09 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -23.12 14.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 t -63.67 -25.32 68.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.164 0.986 . . . . 10.0 112.132 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 71.75 -54.64 0.67 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.377 1.871 . . . . 10.0 114.289 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.16 -1.4 . . . . 10.0 111.777 175.005 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.99 -28.64 67.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.248 1.419 . . . . 10.0 113.051 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 52.81 -113.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.078 0.951 . . . . 10.0 112.096 164.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -56.43 -26.39 53.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.576 1.08 . . . . 10.0 113.597 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.73 108.41 20.44 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 119.215 0.916 . . . . 10.0 109.522 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.53 152.46 33.83 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.48 2.12 . . . . 10.0 111.551 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -46.57 -40.67 23.75 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.473 2.782 . . . . 10.0 112.868 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -58.74 -44.42 90.49 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.73 -1.74 7.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.459 1.103 . . . . 10.0 113.207 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 mm 69.27 -59.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.385 1.874 . . . . 10.0 111.466 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.031 -1.461 . . . . 10.0 111.877 175.55 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 t30 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 mt 62.99 -66.76 0.09 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.564 1.546 . . . . 10.0 113.179 -167.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -52.74 -43.85 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.73 1.212 . . . . 10.0 113.251 -171.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 72.85 -46.72 0.66 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.446 1.499 . . . . 10.0 114.686 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.86 55.77 1.37 Allowed Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.311 -0.868 . . . . 10.0 112.529 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.33 -50.01 72.7 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.68 1.192 . . . . 10.0 112.157 -169.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -45.96 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -34.44 47.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -40.54 -40.41 1.24 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.154 2.181 . . . . 10.0 112.561 170.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -74.08 67.32 1.3 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.784 0.802 . . . . 10.0 111.036 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 117.994 -1.003 . . . . 10.0 112.48 178.424 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 50.94 -73.88 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.444 2.298 . . . . 10.0 115.149 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -121.09 33.51 5.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.437 1.095 . . . . 10.0 112.131 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 70.81 -60.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.545 2.338 . . . . 10.0 114.014 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -174.43 125.8 0.41 Allowed Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.249 1.82 . . . . 10.0 109.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.89 158.93 15.91 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.709 2.272 . . . . 10.0 111.762 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.27 -37.19 79.67 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.06 -53.06 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.324 0.65 . . . . 10.0 111.596 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.9 p -66.96 -37.66 84.69 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.995 0.518 . . . . 10.0 111.144 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.9 -57.63 4.81 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.995 0.807 . . . . 10.0 113.14 164.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.5 tp -40.18 -63.44 0.61 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.327 1.451 . . . . 10.0 113.32 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -39.85 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -39.06 82.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.14 -51.81 60.76 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.734 0.697 . . . . 10.0 110.631 170.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 tttp 72.12 -59.3 0.56 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 163.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.285 -1.34 . . . . 10.0 112.982 -172.243 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.058 1.132 . . . . 10.0 114.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -79.35 63.26 3.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.123 -0.985 . . . . 10.0 112.322 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -77.22 124.28 27.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.97 1.308 . . . . 10.0 112.786 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -45.82 -57.16 4.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.274 1.43 . . . . 10.0 112.33 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.28 118.62 70.23 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 107.463 -1.31 . . . . 10.0 107.463 166.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.39 163.93 24.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.34 2.027 . . . . 10.0 110.792 -161.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -52.88 -33.29 60.76 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.892 2.394 . . . . 10.0 111.646 171.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t -47.0 -50.81 18.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -83.92 6.0 23.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.725 0.81 . . . . 10.0 113.13 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 68.3 -58.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.34 1.856 . . . . 10.0 112.74 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.032 -1.461 . . . . 10.0 111.143 179.112 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.6 mt 63.78 -63.88 0.14 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.886 1.674 . . . . 10.0 113.904 -175.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.38 -51.1 35.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 126.135 1.774 . . . . 10.0 112.588 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 97.2 p -92.97 -34.84 13.59 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.213 -0.304 . . . . 10.0 111.033 172.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.35 -66.6 1.92 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.236 1.398 . . . . 10.0 112.872 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 tp 19.85 -96.93 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.839 2.856 . . . . 10.0 114.841 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt -63.61 -42.52 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.368 -0.833 . . . . 10.0 112.785 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.37 -12.16 13.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 57.2 m -61.64 -27.6 68.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.424 1.465 . . . . 10.0 111.814 167.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -73.59 66.81 1.06 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.464 0.706 . . . . 10.0 111.232 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.15 -1.405 . . . . 10.0 111.348 -178.141 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 -61.89 0.34 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.711 1.604 . . . . 10.0 112.426 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? 62.69 170.23 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.786 2.034 . . . . 10.0 111.435 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.08 -44.25 0.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.715 2.006 . . . . 10.0 113.762 -172.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.43 88.38 25.04 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.869 1.268 . . . . 10.0 108.283 157.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.08 154.33 29.12 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.448 2.099 . . . . 10.0 111.637 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -49.3 114.45 1.03 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.818 1.247 . . . . 10.0 114.274 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -92.86 -68.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.9 0.88 . . . . 10.0 109.596 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.3 t -170.26 -179.52 3.11 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.084 1.754 . . . . 10.0 108.534 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 -63.06 0.81 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.753 1.168 . . . . 10.0 113.212 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 tp 37.75 -94.42 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.726 2.41 . . . . 10.0 114.223 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -60.48 -43.66 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.66 -0.65 . . . . 10.0 111.866 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.04 -29.42 43.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.85 -22.24 0.79 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.945 1.298 . . . . 10.0 113.66 170.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.76 65.1 0.05 Allowed 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.361 -0.837 . . . . 10.0 111.601 164.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.917 -1.04 . . . . 10.0 112.47 179.401 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.279 0.103 . . . . 10.0 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -83.95 119.84 25.39 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.004 0.922 . . . . 10.0 110.115 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -64.15 -34.86 79.03 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.58 -50.57 70.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.476 -0.765 . . . . 10.0 111.814 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -164.51 118.19 1.0 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.266 1.426 . . . . 10.0 110.331 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.11 131.2 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.444 2.096 . . . . 10.0 112.845 -168.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -42.53 -39.73 7.0 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 124.071 3.181 . . . . 10.0 114.161 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t -56.41 -42.34 77.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -66.69 -11.99 56.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.39 1.476 . . . . 10.0 113.177 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 70.09 -59.28 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.609 1.964 . . . . 10.0 110.801 -172.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.446 -1.264 . . . . 10.0 110.181 173.48 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.59 -42.58 71.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.564 0.746 . . . . 10.0 112.028 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.25 -53.6 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.313 -0.867 . . . . 10.0 111.306 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -53.67 -49.24 68.4 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.538 0.735 . . . . 10.0 111.319 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -55.15 17.46 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.675 0.655 . . . . 10.0 112.38 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -51.05 -60.42 3.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.081 1.352 . . . . 10.0 111.353 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt -63.21 -41.98 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 121.607 -0.683 . . . . 10.0 112.707 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -65.76 -11.94 49.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 t -67.73 -31.23 71.01 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.622 1.101 . . . . 10.0 111.343 166.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.2 -58.8 0.45 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.681 1.992 . . . . 10.0 114.694 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.153 -1.403 . . . . 10.0 111.787 177.139 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -70.14 133.66 47.34 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.525 -0.734 . . . . 10.0 110.957 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -109.98 -77.17 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.707 0.803 . . . . 10.0 112.228 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -151.48 87.1 1.36 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.444 0.697 . . . . 10.0 110.948 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.41 118.2 59.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.588 0.755 . . . . 10.0 112.041 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -80.38 155.01 21.68 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.977 1.785 . . . . 10.0 111.577 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.7 tp 65.74 -65.77 0.17 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.077 1.751 . . . . 10.0 113.98 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 m -63.23 84.89 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 122.718 1.247 . . . . 10.0 111.553 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.0 m -79.28 58.04 2.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.272 1.029 . . . . 10.0 113.164 -167.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.49 48.07 2.16 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.726 -0.609 . . . . 10.0 113.156 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.71 -63.03 1.45 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.602 1.161 . . . . 10.0 111.526 -172.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -45.07 62.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.654 0.782 . . . . 10.0 112.273 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -30.05 71.26 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.65 -31.93 0.52 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.543 2.337 . . . . 10.0 115.06 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 60.96 0.55 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.654 0.782 . . . . 10.0 111.631 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.755 -1.593 . . . . 10.0 112.556 -178.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 m120 52.52 -95.08 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.276 1.43 . . . . 10.0 113.116 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -81.58 -25.71 35.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.501 0.72 . . . . 10.0 112.08 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 65.92 -68.43 0.13 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.26 1.824 . . . . 10.0 111.876 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.47 124.96 77.95 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.54 1.136 . . . . 10.0 108.923 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.36 142.9 27.32 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.967 1.778 . . . . 10.0 111.715 -170.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -46.9 -38.14 22.93 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.048 2.499 . . . . 10.0 111.901 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.08 -45.89 91.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.4 -23.66 54.06 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 56.9 mt 71.3 -60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.748 2.019 . . . . 10.0 111.512 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.028 -1.463 . . . . 10.0 110.633 174.137 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.781 0.659 . . . . 10.0 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 60.1 179.0 0.09 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.1 0.96 . . . . 10.0 111.046 -164.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.14 -44.02 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 120.96 -1.087 . . . . 10.0 112.38 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 18.1 p -56.0 -64.45 0.85 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.286 1.435 . . . . 10.0 111.576 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.49 56.86 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.725 -0.55 . . . . 10.0 111.725 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.49 -56.67 18.83 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.213 1.006 . . . . 10.0 112.452 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt -61.1 -43.59 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.737 1.153 . . . . 10.0 112.391 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -40.64 24.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 p -68.18 -13.22 62.07 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.305 1.224 . . . . 10.0 114.305 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.78 70.68 0.99 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.609 1.095 . . . . 10.0 110.341 166.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.186 -1.388 . . . . 10.0 111.361 -178.056 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -143.35 76.27 1.51 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.678 1.191 . . . . 10.0 110.018 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -115.53 -32.36 5.58 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 10.0 112.269 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -147.39 -135.45 0.08 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.481 0.582 . . . . 10.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.19 159.52 30.5 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 126.25 1.82 . . . . 10.0 109.638 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.48 143.94 31.62 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 121.175 1.25 . . . . 10.0 109.551 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp 54.65 -100.46 0.11 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.726 2.01 . . . . 10.0 112.43 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.41 -25.9 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.619 -0.676 . . . . 10.0 112.02 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -74.33 73.86 1.85 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.077 0.951 . . . . 10.0 110.783 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 63.66 1.09 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.4 1.0 . . . . 10.0 112.814 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -42.3 -47.36 4.81 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.879 1.672 . . . . 10.0 115.041 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.76 -45.77 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.61 -0.681 . . . . 10.0 112.371 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -33.25 54.14 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 15.4 t -44.17 -35.59 2.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.612 1.565 . . . . 10.0 113.5 169.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.312 63.1 pttt 61.27 -52.28 0.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.24 2.616 . . . . 10.0 117.13 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.627 1.571 . . . . 10.0 112.302 -179.344 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.206 0.527 . . . . 10.0 111.129 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.46 129.81 2.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.691 0.797 . . . . 10.0 112.533 -164.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -89.85 -52.91 4.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 10.0 110.044 155.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.95 81.35 0.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.935 1.694 . . . . 10.0 112.153 -171.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.21 117.72 22.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.843 -0.536 . . . . 10.0 110.131 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.63 146.27 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.247 1.965 . . . . 10.0 111.646 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -62.71 -23.0 74.45 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.716 2.944 . . . . 10.0 112.408 -177.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.26 -46.51 17.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -96.71 14.26 25.62 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.155 0.982 . . . . 10.0 113.048 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm 68.25 -55.53 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.089 1.756 . . . . 10.0 113.367 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.872 1.669 . . . . 10.0 111.245 176.862 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp -79.09 160.93 26.85 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.987 0.915 . . . . 10.0 110.198 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.0 109.0 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.812 -0.555 . . . . 10.0 110.127 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 23.8 p 66.62 -58.61 0.37 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.397 1.879 . . . . 10.0 112.753 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.87 -66.47 1.76 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.628 1.108 . . . . 10.0 114.215 165.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -31.49 -65.15 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.335 2.254 . . . . 10.0 114.058 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -59.72 -44.78 94.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -33.4 33.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.4 t -58.99 -51.99 67.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.884 1.274 . . . . 10.0 111.428 172.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttm 64.67 -73.63 0.05 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.283 1.433 . . . . 10.0 114.103 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.513 1.925 . . . . 10.0 112.329 -167.883 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 121.72 0.771 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -69.31 77.72 0.38 Allowed 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.419 -0.8 . . . . 10.0 110.65 167.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.21 112.11 13.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.744 1.618 . . . . 10.0 112.725 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -55.72 -36.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.023 1.329 . . . . 10.0 112.188 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.78 109.74 3.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 107.273 -1.38 . . . . 10.0 107.273 162.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.77 145.89 52.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 121.231 1.475 . . . . 10.0 111.613 -165.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.8 mt 73.33 -42.14 0.52 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.669 1.729 . . . . 10.0 115.669 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.6 70.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.174 1.175 . . . . 10.0 114.174 -174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -31.06 -60.7 0.2 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.687 2.795 . . . . 10.0 114.244 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -48.02 58.25 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 123.092 0.377 . . . . 10.0 113.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.59 -48.36 40.42 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.885 -0.774 . . . . 10.0 110.63 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -57.63 -44.16 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 120.208 -0.597 . . . . 10.0 111.478 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -32.69 61.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.79 -33.65 10.83 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 10.0 113.06 169.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.313 24.4 pttm 63.13 -44.52 0.21 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.69 2.796 . . . . 10.0 117.73 169.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.414 177.473 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 70.42 -57.05 0.59 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.276 1.831 . . . . 10.0 114.399 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -84.11 -54.12 5.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.179 0.992 . . . . 10.0 110.563 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 62.87 39.86 10.18 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.158 0.983 . . . . 10.0 113.116 166.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -168.46 93.18 0.6 Allowed Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.416 1.487 . . . . 10.0 111.207 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 149.97 21.97 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.022 1.815 . . . . 10.0 110.739 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -46.98 -35.21 18.06 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.774 2.983 . . . . 10.0 113.775 170.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.01 -45.22 31.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -79.67 -18.45 51.35 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 113.404 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mm 68.36 -58.61 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.658 1.983 . . . . 10.0 111.54 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.555 -1.212 . . . . 10.0 110.475 175.135 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -48.93 -30.93 6.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.809 2.044 . . . . 10.0 116.229 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.96 -38.57 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.46 -0.775 . . . . 10.0 111.995 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.2 t -108.14 -63.37 1.33 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.266 1.026 . . . . 10.0 112.053 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.76 -11.69 7.05 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 118.648 -1.084 . . . . 10.0 114.2 -167.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.43 -56.44 15.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.908 1.854 . . . . 10.0 113.311 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -45.48 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -73.61 -41.34 62.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -51.97 -45.43 64.44 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.98 0.809 . . . . 10.0 111.633 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.274 6.6 ptpp? 66.19 -41.78 0.37 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 118.064 2.616 . . . . 10.0 118.064 163.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.233 -1.365 . . . . 10.0 112.512 -179.001 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.988 0.423 . . . . 10.0 112.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.72 59.37 1.18 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.178 -0.951 . . . . 10.0 111.679 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -101.54 -40.34 7.08 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.301 1.04 . . . . 10.0 111.54 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -73.8 60.28 0.71 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.738 1.615 . . . . 10.0 113.999 -163.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 p -79.57 130.2 68.84 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.48 1.112 . . . . 10.0 111.118 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -84.72 157.19 12.0 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.009 2.473 . . . . 10.0 111.335 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.98 133.74 22.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.366 0.667 . . . . 10.0 111.706 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.321 27.9 m 52.25 -69.21 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.956 2.102 . . . . 10.0 114.064 -166.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -33.64 -71.66 0.06 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.596 2.759 . . . . 10.0 114.238 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -47.62 39.35 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -40.57 -53.93 2.62 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.345 1.858 . . . . 10.0 113.701 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -58.61 -42.93 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 121.422 -0.799 . . . . 10.0 112.252 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.84 29.92 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.9 t -36.4 -47.09 0.59 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.981 1.312 . . . . 10.0 113.766 167.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -147.22 -37.19 0.21 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.167 -1.397 . . . . 10.0 111.105 -175.448 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.097 0.777 . . . . 10.0 113.097 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -56.77 139.91 49.35 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.05 157.52 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.522 0.729 . . . . 10.0 111.326 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 69.21 -54.14 0.58 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.245 1.818 . . . . 10.0 114.495 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 t -129.94 95.41 28.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.129 1.372 . . . . 10.0 109.013 174.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -81.99 149.08 15.57 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.639 2.226 . . . . 10.0 111.524 -171.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.1 -28.38 83.43 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.053 3.169 . . . . 10.0 113.25 -172.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t -68.04 -53.37 26.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -80.89 -13.43 58.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 71.98 -60.14 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.227 1.811 . . . . 10.0 110.865 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.253 1.26 0 CA-C-O 117.79 -1.1 . . . . 10.0 112.214 174.111 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.435 0.161 . . . . 10.0 111.435 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.34 161.29 30.71 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.746 -0.596 . . . . 10.0 110.355 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.62 -52.65 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.024 -1.048 . . . . 10.0 111.138 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -57.56 -62.77 1.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.788 1.235 . . . . 10.0 110.927 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.52 -50.57 3.87 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 125.526 1.536 . . . . 10.0 113.26 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.89 -62.93 1.33 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.792 1.637 . . . . 10.0 111.95 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt -62.68 -43.5 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 O-C-N 121.766 -0.584 . . . . 10.0 112.005 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -41.84 98.59 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . 0.252 1.5 p -68.51 -27.83 66.46 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.947 0.794 . . . . 10.0 112.878 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -68.53 69.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.991 0.901 . . . . 10.0 111.454 164.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.928 -1.034 . . . . 10.0 112.322 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.774 0.657 . . . . 10.0 112.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -118.04 140.0 50.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.839 0.855 . . . . 10.0 112.217 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.413 ' CZ ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.43 144.5 57.02 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.767 1.227 . . . . 10.0 112.02 171.196 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -158.81 150.65 21.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.11 0.564 . . . . 10.0 112.508 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.5 110.87 16.92 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.723 0.809 . . . . 10.0 110.008 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -81.27 162.87 19.92 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.805 2.337 . . . . 10.0 111.459 -170.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' H ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 113.239 0.829 . . . . 10.0 113.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.03 -9.52 31.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.25 1.42 . . . . 10.0 114.788 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 4' ' ' SER . 11.9 m -121.0 -76.95 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 119.797 1.18 . . . . 10.0 112.502 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.412 ' H ' HG23 ' B' ' 3' ' ' VAL . 78.4 p -69.43 -46.79 65.95 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.047 -1.033 . . . . 10.0 110.78 -174.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.38 -55.62 23.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 171.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -46.4 -63.99 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.02 0.928 . . . . 10.0 112.182 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -62.15 -42.14 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.646 0.657 . . . . 10.0 112.101 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -37.77 82.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.29 61.4 0.06 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.347 1.459 . . . . 10.0 111.361 169.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -82.2 52.3 1.98 Allowed 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.785 -1.197 . . . . 10.0 112.469 -166.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.972 -1.013 . . . . 10.0 112.233 -177.265 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -74.05 63.76 0.98 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.572 -0.705 . . . . 10.0 111.547 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -53.08 61.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.413 1.885 . . . . 10.0 115.583 -168.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -81.85 82.01 7.66 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.934 0.873 . . . . 10.0 112.876 -165.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 23.7 t -56.3 125.38 65.08 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.241 1.016 . . . . 10.0 110.34 167.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -75.36 145.18 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.281 1.987 . . . . 10.0 111.21 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -46.28 -31.93 9.92 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.792 2.995 . . . . 10.0 113.496 166.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.0 -43.48 70.06 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -82.49 11.18 5.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.374 1.47 . . . . 10.0 112.968 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.8 mm 65.66 -61.32 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.254 1.821 . . . . 10.0 112.753 -170.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.012 1.725 . . . . 10.0 112.151 178.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -153.69 123.63 6.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.459 1.103 . . . . 10.0 110.113 173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t 13.29 -84.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 128.764 2.826 . . . . 10.0 116.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.1 p -58.52 -60.04 4.43 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.187 . . . . 10.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.83 49.36 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.754 1.168 . . . . 10.0 112.891 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.62 -61.58 2.33 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.409 -1.053 . . . . 10.0 110.551 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -60.06 -41.46 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 121.886 -0.509 . . . . 10.0 111.859 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -55.14 -44.92 75.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 t -51.91 -37.92 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.015 0.926 . . . . 10.0 112.435 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -72.88 67.37 0.82 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.936 0.874 . . . . 10.0 111.13 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.788 -1.577 . . . . 10.0 112.571 176.544 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.247 0.546 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.86 59.34 0.68 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.779 1.232 . . . . 10.0 111.969 -178.487 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 64.27 -67.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.712 2.005 . . . . 10.0 114.765 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -145.69 160.65 41.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.509 1.124 . . . . 10.0 112.928 -162.045 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -146.73 121.47 5.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.494 1.917 . . . . 10.0 107.576 168.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.37 151.54 26.18 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.632 2.221 . . . . 10.0 110.944 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.68 -47.47 58.87 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -72.07 -42.9 67.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.014 0.926 . . . . 10.0 111.162 -178.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 43.2 p -56.0 -39.66 72.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.009 0.433 . . . . 10.0 111.461 172.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.26 -51.3 57.54 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 119.441 -0.644 . . . . 10.0 111.991 168.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -46.82 -66.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.067 1.347 . . . . 10.0 111.611 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -64.02 -39.3 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 10.0 111.976 -171.915 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.26 -24.3 63.1 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.8 m -51.87 -37.09 50.88 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.52 1.055 . . . . 10.0 112.274 168.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.32 61.7 pttt 57.61 -56.84 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.355 2.662 . . . . 10.0 115.809 -176.184 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.615 -1.184 . . . . 10.0 112.078 174.728 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.679 0.276 . . . . 10.0 111.306 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.44 60.58 1.6 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.27 1.028 . . . . 10.0 111.77 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.6 -59.02 0.51 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.96 1.704 . . . . 10.0 110.07 -165.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 70.32 -58.73 0.54 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.305 2.242 . . . . 10.0 114.495 165.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -73.52 120.25 80.15 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.374 0.67 . . . . 10.0 110.508 173.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -86.68 148.59 8.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.422 2.081 . . . . 10.0 110.579 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -59.64 -31.07 93.74 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.486 2.124 . . . . 10.0 111.396 175.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -51.29 -43.83 61.73 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -91.7 3.9 54.01 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 178.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 mm 67.31 -61.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.683 1.593 . . . . 10.0 112.262 -173.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.468 1.507 . . . . 10.0 112.23 176.139 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 113.338 0.866 . . . . 10.0 113.338 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 49.0 tp 60.31 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.286 2.634 . . . . 10.0 113.707 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.18 177.82 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.694 1.198 . . . . 10.0 110.781 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 47.8 p 57.1 -122.51 1.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.715 1.206 . . . . 10.0 113.653 173.502 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.22 50.98 3.19 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.537 1.065 . . . . 10.0 113.443 -173.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 tp -57.21 -55.43 34.88 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.849 -0.794 . . . . 10.0 111.942 -176.143 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -59.7 -36.96 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 122.969 0.507 . . . . 10.0 112.023 177.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -41.8 96.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.34 -66.49 0.54 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.652 1.181 . . . . 10.0 112.151 178.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.88 25.78 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.343 2.657 . . . . 10.0 117.773 174.511 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.75 -1.595 . . . . 10.0 112.471 -172.721 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 50.91 59.25 4.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.261 1.425 . . . . 10.0 111.554 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -141.36 75.89 1.52 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.2 1.8 . . . . 10.0 111.02 -169.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.02 -121.41 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.119 0.568 . . . . 10.0 110.276 -177.038 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.55 128.14 6.44 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 119.348 0.977 . . . . 10.0 110.362 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -84.93 142.97 9.15 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.683 2.256 . . . . 10.0 110.303 176.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.339 0.59 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.59 154.16 23.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.131 0.572 . . . . 10.0 111.72 175.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t 60.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 127.042 2.137 . . . . 10.0 115.094 169.299 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -60.01 123.62 17.65 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.916 1.287 . . . . 10.0 110.859 -173.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.48 -49.44 3.03 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.245 -0.909 . . . . 10.0 111.375 -171.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.42 -59.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.723 1.209 . . . . 10.0 111.96 175.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt -58.58 -44.65 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.441 -0.787 . . . . 10.0 112.321 -175.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -62.45 -36.58 82.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -67.35 61.43 0.06 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.724 1.21 . . . . 10.0 111.679 168.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -79.16 51.69 1.21 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.635 -1.29 . . . . 10.0 113.153 -172.305 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.043 -1.456 . . . . 10.0 111.854 -176.65 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 70.37 -31.16 0.21 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 171.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.98 162.14 34.27 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.899 1.28 . . . . 10.0 111.69 -173.275 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 162.4 23.06 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.924 0.869 . . . . 10.0 111.878 174.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -79.29 127.89 77.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 171.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.56 133.93 29.22 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.193 1.929 . . . . 10.0 110.522 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -44.62 -33.59 6.99 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.485 3.457 . . . . 10.0 115.4 177.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t -50.16 -45.03 52.96 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -80.1 -0.28 35.08 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.701 1.001 . . . . 10.0 113.701 177.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.2 mm 68.17 -57.51 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 126.685 1.994 . . . . 10.0 112.706 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.936 -1.507 . . . . 10.0 112.991 -179.122 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 111.687 0.254 . . . . 10.0 111.687 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.61 -42.49 98.95 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 10.0 112.282 175.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t 60.3 -73.31 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 126.632 1.973 . . . . 10.0 111.442 -174.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 73.3 p -46.65 -71.22 0.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.147 1.779 . . . . 10.0 111.693 168.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.43 -41.18 24.5 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.572 1.082 . . . . 10.0 112.662 175.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.54 -59.98 4.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.823 0.812 . . . . 10.0 111.728 175.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt -59.07 -40.91 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.322 0.965 . . . . 10.0 112.026 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -37.68 82.65 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.49 -63.59 1.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.497 0.59 . . . . 10.0 111.024 170.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 tttm 60.63 -69.52 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.282 1.586 . . . . 10.0 115.282 177.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 127.203 2.201 . . . . 10.0 113.751 -169.504 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.214 0.531 . . . . 10.0 111.876 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.67 59.82 0.22 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.244 1.818 . . . . 10.0 112.829 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.5 127.49 35.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.303 1.841 . . . . 10.0 113.671 -168.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -124.82 145.49 49.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.248 1.419 . . . . 10.0 112.565 175.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.06 122.84 82.11 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.147 0.979 . . . . 10.0 110.379 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.2 137.33 28.51 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.497 2.131 . . . . 10.0 111.802 -178.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.83 66.0 6.18 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.729 -0.607 . . . . 10.0 110.236 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.6 t -41.67 -52.19 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.569 1.548 . . . . 10.0 113.529 -173.041 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.8 m -53.3 -34.51 57.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.406 1.082 . . . . 10.0 113.544 177.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.27 -48.01 5.85 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.464 1.031 . . . . 10.0 111.972 174.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -33.67 -65.18 0.19 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.237 1.815 . . . . 10.0 113.233 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.48 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -175.034 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -35.01 75.8 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 51.2 t -67.74 60.65 0.07 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.034 1.333 . . . . 10.0 111.293 169.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -82.04 58.2 3.84 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.701 -1.25 . . . . 10.0 111.839 -170.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.802 -1.571 . . . . 10.0 112.188 179.165 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.012 0.434 . . . . 10.0 111.536 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.82 111.32 8.85 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.816 -0.553 . . . . 10.0 109.687 175.101 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -92.33 23.99 3.63 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.48 151.82 27.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.093 1.357 . . . . 10.0 113.76 177.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.3 116.99 20.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 O-C-N 121.293 -0.879 . . . . 10.0 110.224 172.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 148.3 22.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 122.083 1.855 . . . . 10.0 111.645 -173.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.36 -37.52 14.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.627 2.885 . . . . 10.0 113.225 168.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -52.16 -43.82 64.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -74.64 -8.73 57.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.866 1.666 . . . . 10.0 113.411 177.692 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 mm 68.67 -56.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.422 1.889 . . . . 10.0 111.653 -168.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.348 -1.31 . . . . 10.0 110.814 177.796 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.553 0.692 . . . . 10.0 111.549 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -55.1 -37.37 66.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.302 1.041 . . . . 10.0 113.056 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.44 -52.57 58.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.403 0.547 . . . . 10.0 110.622 178.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -56.66 -50.98 70.48 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.054 -0.404 . . . . 10.0 111.108 175.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.12 27.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.41 0.529 . . . . 10.0 112.223 174.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -54.6 -59.73 4.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.644 1.178 . . . . 10.0 112.28 176.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -61.92 -43.19 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.594 0.634 . . . . 10.0 111.848 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.43 -14.58 42.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -59.35 -31.38 69.15 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.004 1.275 . . . . 10.0 111.439 167.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm 69.43 -60.81 0.46 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.965 1.706 . . . . 10.0 113.22 176.575 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.318 -1.325 . . . . 10.0 111.36 171.871 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -69.49 63.71 0.17 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.699 2.0 . . . . 10.0 113.815 -174.04 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -72.09 121.04 18.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.762 1.625 . . . . 10.0 111.63 174.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.62 157.77 37.36 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.123 -0.986 . . . . 10.0 110.157 166.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -159.46 111.83 1.51 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.319 0.647 . . . . 10.0 109.642 -176.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -85.75 154.89 10.21 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.795 2.33 . . . . 10.0 111.834 -171.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 119.725 -0.179 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.38 -45.82 78.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.501 -0.749 . . . . 10.0 111.901 170.607 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 p -154.06 151.83 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 -174.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -36.68 98.73 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 128.319 2.648 . . . . 10.0 114.74 -178.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.82 33.11 86.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.597 0.618 . . . . 10.0 114.292 176.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -42.83 -53.29 4.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.957 0.903 . . . . 10.0 113.057 177.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -42.41 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.433 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -35.46 65.3 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.1 -34.19 29.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.554 1.142 . . . . 10.0 112.746 171.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.318 7.5 ptpp? 62.09 -50.63 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.625 2.77 . . . . 10.0 117.826 168.238 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.503 -1.237 . . . . 10.0 112.061 177.801 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.881 0.372 . . . . 10.0 111.904 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.61 61.56 0.52 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.919 1.287 . . . . 10.0 113.022 179.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.19 71.38 1.17 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 -173.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 69.39 0.6 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.481 1.112 . . . . 10.0 110.362 172.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.15 126.89 87.47 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.666 1.186 . . . . 10.0 112.519 -174.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 155.96 8.25 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.827 2.351 . . . . 10.0 111.189 -177.266 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.11 -33.01 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.007 3.138 . . . . 10.0 113.79 167.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -66.37 -55.92 13.57 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -81.41 -32.29 32.81 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -173.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 mm 67.94 -60.22 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.683 1.593 . . . . 10.0 111.503 -168.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 pt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 124.059 0.944 . . . . 10.0 112.489 176.642 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.68 -68.54 0.53 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.042 0.537 . . . . 10.0 111.756 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -71.49 154.62 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.472 0.709 . . . . 10.0 111.293 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -43.77 98.85 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.926 1.69 . . . . 10.0 113.196 175.611 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.59 31.64 80.55 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 123.474 0.559 . . . . 10.0 114.157 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -38.48 -52.25 1.58 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.81 1.644 . . . . 10.0 113.218 177.523 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt -57.2 -43.15 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.526 -0.734 . . . . 10.0 112.773 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.88 -46.35 62.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 32.3 t -56.18 -61.18 2.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.401 1.48 . . . . 10.0 113.927 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 pttm 22.04 78.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.78 2.141 . . . . 10.0 116.78 177.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--O 1.252 1.208 0 O-C-N 120.645 -1.284 . . . . 10.0 111.397 -179.682 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.455 -0.755 0 N-CA-C 111.281 -0.315 . . . . 10.0 111.281 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 119.486 -0.292 . . . . 10.0 111.731 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 N-CA-C 114.67 0.989 . . . . 10.0 114.67 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 111.092 -0.388 . . . . 10.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 112.187 0.439 . . . . 10.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.536 0.605 0 N-CA-C 114.116 0.775 . . . . 10.0 114.116 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.456 -0.705 0 N-CA-C 111.263 -0.322 . . . . 10.0 111.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 CA--C 1.533 0.457 0 CA-C-O 120.632 0.18 . . . . 10.0 111.803 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 . . . . . 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo . . . . . 0 CA--C 1.539 0.753 0 N-CA-C 111.354 -0.287 . . . . 10.0 111.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 12' ' ' LEU . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.332 0.493 . . . . 10.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.46 -0.456 0 N-CA-C 111.323 -0.299 . . . . 10.0 111.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 119.455 -0.307 . . . . 10.0 111.556 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 CA--C 1.538 0.69 0 CA-C-O 120.001 -0.083 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 112.514 0.561 . . . . 10.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.533 0.472 0 CA-C-O 120.412 0.088 . . . . 10.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo . . . . . 0 CA--C 1.54 0.818 0 CA-C-O 119.345 -0.356 . . . . 10.0 111.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 CA--C 1.533 0.45 0 CA-C-O 120.421 0.092 . . . . 10.0 111.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.119 0.415 . . . . 10.0 112.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.54 0.78 0 CA-C-O 119.016 -0.493 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.337 0.495 . . . . 10.0 112.337 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 . . . . . 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 N--CA 1.458 -0.593 0 N-CA-C 110.939 -0.447 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 111.689 0.255 . . . . 10.0 111.689 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 CA--C 1.537 0.632 0 N-CA-C 112.804 0.271 . . . . 10.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.208 0.447 . . . . 10.0 112.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo . . . . . 0 N--CA 1.459 -0.559 0 N-CA-C 112.657 0.214 . . . . 10.0 112.657 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 111.873 0.323 . . . . 10.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 109.341 -1.061 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 112.98 0.733 . . . . 10.0 112.98 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo . . . . . 0 CA--C 1.535 0.558 0 CA-C-O 121.091 0.371 . . . . 10.0 112.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t . . . . . 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 N--CA 1.468 0.458 0 N-CA-C 111.761 0.282 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 . . . . . 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 119.571 -0.262 . . . . 10.0 111.758 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 111.655 0.242 . . . . 10.0 111.655 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.462 -0.359 0 N-CA-C 110.529 -0.604 . . . . 10.0 110.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 119.399 -0.334 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 CA-C-O 121.148 0.395 . . . . 10.0 111.22 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.395 -0.656 . . . . 10.0 110.395 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 119.916 -0.088 . . . . 10.0 111.051 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo . . . . . 0 CA--C 1.531 0.366 0 N-CA-C 113.211 0.427 . . . . 10.0 113.211 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 112.436 0.532 . . . . 10.0 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 CA--C 1.541 0.827 0 N-CA-C 110.642 -0.561 . . . . 10.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo . . . . . 0 CA--C 1.535 0.542 0 N-CA-C 112.868 0.296 . . . . 10.0 112.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t . . . . . 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 CA--C 1.542 0.915 0 CA-C-O 119.611 -0.245 . . . . 10.0 111.762 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo . . . . . 0 CA--C 1.536 0.608 0 N-CA-C 111.646 -0.175 . . . . 10.0 111.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.785 0.661 . . . . 10.0 112.785 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.539 0.748 0 CA-C-O 119.386 -0.339 . . . . 10.0 111.637 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 CA--C 1.537 0.64 0 N-CA-C 114.161 0.793 . . . . 10.0 114.161 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t . . . . . 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 112.707 0.632 . . . . 10.0 112.707 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.54 0.797 0 CA-C-O 119.628 -0.238 . . . . 10.0 111.577 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.273 0.471 . . . . 10.0 112.273 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.535 0.54 0 CA-C-O 120.752 0.23 . . . . 10.0 111.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo . . . . . 0 N--CA 1.454 -0.794 0 N-CA-C 109.551 -0.98 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.371 0.508 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 CA--C 1.536 0.599 0 CA-C-O 120.629 0.179 . . . . 10.0 112.408 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 CA-C-O 119.204 -0.415 . . . . 10.0 111.613 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 111.478 0.177 . . . . 10.0 111.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 113.775 0.644 . . . . 10.0 113.775 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 CA--C 1.538 0.705 0 N-CA-C 111.335 -0.294 . . . . 10.0 111.335 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.252 0.464 . . . . 10.0 112.252 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.46 -0.476 0 N-CA-C 113.25 0.442 . . . . 10.0 113.25 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 112.005 0.372 . . . . 10.0 112.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 CA--C 1.539 0.746 0 N-CA-C 111.459 -0.246 . . . . 10.0 111.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' H ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 113.496 0.537 . . . . 10.0 113.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 111.859 0.318 . . . . 10.0 111.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 CA--C 1.537 0.662 0 N-CA-C 110.944 -0.445 . . . . 10.0 110.944 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.976 0.362 . . . . 10.0 111.976 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 CA--C 1.537 0.657 0 CA-C-O 121.043 0.351 . . . . 10.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 CA--C 1.537 0.445 0 N-CA-C 112.023 0.379 . . . . 10.0 112.023 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.303 -0.691 . . . . 10.0 110.303 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 112.321 0.489 . . . . 10.0 112.321 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo . . . . . 0 CA--C 1.538 0.691 0 N-CA-C 115.4 1.269 . . . . 10.0 115.4 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 112.026 0.38 . . . . 10.0 112.026 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.538 0.723 0 CA-C-O 119.06 -0.475 . . . . 10.0 111.802 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 CA--C 1.533 0.463 0 N-CA-C 113.225 0.433 . . . . 10.0 113.225 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.54 0.819 0 CA-C-O 119.26 -0.392 . . . . 10.0 111.834 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 CA--C 1.536 0.585 0 N-CA-C 113.79 0.65 . . . . 10.0 113.79 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t . . . . . 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 120.883 0.373 . . . . 10.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.97 -51.07 69.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.92 0.888 . . . . 10.0 112.648 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.17 65.33 0.73 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.133 0.973 . . . . 10.0 110.641 -175.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -79.83 133.64 36.29 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.842 -0.536 . . . . 10.0 111.401 -175.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 t 66.19 90.86 0.08 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 125.142 1.377 . . . . 10.0 110.45 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.8 164.07 15.95 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 122.499 2.132 . . . . 10.0 111.281 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -42.99 -38.74 7.35 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 124.232 3.288 . . . . 10.0 113.796 170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.87 -42.48 6.38 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.339 0.971 . . . . 10.0 113.842 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -60.8 -44.95 96.17 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.194 0.997 . . . . 10.0 111.579 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 m -62.94 -45.27 93.24 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.854 -0.529 . . . . 10.0 110.732 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.3 93.22 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.164 0.585 . . . . 10.0 112.22 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -54.6 -59.44 4.7 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.451 0.7 . . . . 10.0 110.749 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.5 -49.42 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.754 0.822 . . . . 10.0 112.143 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -55.57 -54.39 44.64 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.451 0.7 . . . . 10.0 111.297 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.6 p -62.05 -37.31 84.5 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.081 0.771 . . . . 10.0 113.081 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 tt -58.47 -56.33 23.46 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.189 0.995 . . . . 10.0 110.547 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.7 ttm105 -55.76 -45.69 78.04 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.429 0.692 . . . . 10.0 111.566 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -55.42 -58.54 7.31 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.871 -0.518 . . . . 10.0 111.383 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.82 -45.86 50.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.718 1.207 . . . . 10.0 112.736 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -65.24 -34.78 79.17 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.558 1.143 . . . . 10.0 112.64 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.1 mt 71.46 -56.94 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 127.08 2.152 . . . . 10.0 111.278 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.1 mt . . . . . 0 C--O 1.252 1.225 0 CA-C-O 117.462 -1.256 . . . . 10.0 110.806 175.277 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 112.066 0.395 . . . . 10.0 112.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.8 mt -55.93 -58.07 9.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.643 1.177 . . . . 10.0 113.272 -171.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.73 -41.37 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 122.619 0.368 . . . . 10.0 111.625 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.91 -51.4 63.86 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.946 0.498 . . . . 10.0 110.843 172.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.25 -51.57 30.63 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 123.626 0.631 . . . . 10.0 112.063 172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.63 -56.18 25.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.284 0.542 . . . . 10.0 112.143 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 17.3 pt -62.13 -38.04 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.66 -0.65 . . . . 10.0 111.731 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -64.74 -47.27 78.83 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.985 0.811 . . . . 10.0 112.001 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.12 76.59 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.687 -0.633 . . . . 10.0 111.398 173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -56.84 -52.47 64.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.018 0.527 . . . . 10.0 111.905 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -53.53 -51.42 62.93 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.919 0.887 . . . . 10.0 111.499 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -53.24 -56.79 13.71 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.397 1.079 . . . . 10.0 111.811 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.07 -56.74 12.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.631 0.772 . . . . 10.0 111.589 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.9 -49.59 68.23 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.503 1.121 . . . . 10.0 111.794 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -60.45 -46.91 88.34 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.569 -0.707 . . . . 10.0 111.932 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.9 mt -55.54 -55.44 31.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 122.246 0.218 . . . . 10.0 110.864 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -52.13 -47.67 65.26 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.111 0.565 . . . . 10.0 112.374 177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -56.03 -51.47 67.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.767 0.827 . . . . 10.0 111.959 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -56.54 -51.78 67.26 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.945 0.793 . . . . 10.0 111.847 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.18 -28.77 70.28 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.625 0.77 . . . . 10.0 112.619 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -69.79 -54.24 14.55 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.188 -0.945 . . . . 10.0 110.632 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -33.9 61.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.75 1.22 . . . . 10.0 112.326 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -46.63 -40.05 12.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.35 1.06 . . . . 10.0 112.907 169.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 70.49 -56.7 0.6 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.146 1.778 . . . . 10.0 115.336 167.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 116.919 -1.515 . . . . 10.0 113.141 -176.345 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -155.6 26.13 0.39 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.203 1.186 . . . . 10.0 114.203 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.9 -73.04 0.55 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.036 1.334 . . . . 10.0 110.295 175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.66 146.78 48.93 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.671 1.188 . . . . 10.0 109.747 -175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t 56.15 64.83 4.72 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 124.098 0.959 . . . . 10.0 109.149 -163.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.78 160.03 50.74 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.56 2.173 . . . . 10.0 111.899 -167.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -42.57 -39.57 6.99 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 124.888 3.725 . . . . 10.0 114.67 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.15 -40.82 4.58 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.573 1.082 . . . . 10.0 114.083 173.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.28 -60.57 3.54 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.13 0.965 . . . . 10.0 111.554 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 21.1 m -52.96 -44.4 67.11 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.771 0.828 . . . . 10.0 111.496 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.91 88.79 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.793 1.237 . . . . 10.0 112.176 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.04 -55.41 23.97 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.935 0.788 . . . . 10.0 110.811 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -58.48 -46.64 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.941 -0.475 . . . . 10.0 111.517 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -55.21 -44.48 75.43 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.248 -0.907 . . . . 10.0 111.964 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -61.25 -43.7 98.45 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.059 0.543 . . . . 10.0 111.271 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.24 -44.71 88.39 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.095 0.958 . . . . 10.0 111.952 174.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.4 mtm-85 -60.01 -53.89 52.48 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 121.63 -0.669 . . . . 10.0 111.768 171.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -51.47 -43.67 62.19 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.726 1.211 . . . . 10.0 112.888 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.9 t -60.08 -10.19 4.04 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.401 1.48 . . . . 10.0 113.792 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm 78.78 28.97 0.41 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.91 2.084 . . . . 10.0 112.403 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mm -73.94 -39.45 51.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.801 -0.562 . . . . 10.0 111.14 174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.104 -1.427 . . . . 10.0 110.957 176.885 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -49.57 -35.85 21.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.068 1.747 . . . . 10.0 113.185 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -53.06 -24.6 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.338 1.236 . . . . 10.0 114.338 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p 71.03 170.18 0.32 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.142 1.777 . . . . 10.0 113.099 -175.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.93 -55.57 3.07 Favored Glycine 0 CA--C 1.535 1.314 0 O-C-N 121.118 -0.988 . . . . 10.0 113.231 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -28.28 -64.96 0.09 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.878 2.471 . . . . 10.0 114.275 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 31.1 pt -58.07 -41.06 79.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 N-CA-C 113.186 0.81 . . . . 10.0 113.186 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.3 -45.55 59.54 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.445 0.698 . . . . 10.0 110.699 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.52 75.14 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.809 0.844 . . . . 10.0 111.321 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -56.83 -54.49 45.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.188 1.395 . . . . 10.0 111.649 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -52.03 -52.4 51.17 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.812 -0.555 . . . . 10.0 111.623 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -59.38 -50.61 73.31 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.688 0.795 . . . . 10.0 111.894 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -48.95 -57.58 6.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.604 1.162 . . . . 10.0 111.069 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -56.64 -57.78 10.92 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.284 0.634 . . . . 10.0 111.747 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.34 -49.83 60.64 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.712 -0.617 . . . . 10.0 112.118 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.66 -46.91 74.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.871 0.469 . . . . 10.0 111.147 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -44.22 77.4 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.622 0.647 . . . . 10.0 111.955 175.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -64.7 -49.3 71.44 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.889 0.875 . . . . 10.0 111.346 177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -53.99 -49.41 68.88 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.685 -0.635 . . . . 10.0 111.52 174.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.43 -45.09 92.54 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.981 0.513 . . . . 10.0 111.711 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -55.05 -42.88 73.27 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.573 -1.329 . . . . 10.0 111.624 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -59.13 -17.93 31.22 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.122 1.156 . . . . 10.0 114.122 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.89 -28.95 62.52 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 119.553 1.07 . . . . 10.0 112.114 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.338 0.0 OUTLIER 62.21 -48.33 0.17 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.651 2.78 . . . . 10.0 117.158 170.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.432 -1.27 . . . . 10.0 110.991 169.344 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.425 0.155 . . . . 10.0 111.171 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.4 t30 68.8 -39.93 0.43 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -127.52 157.86 38.98 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.967 1.707 . . . . 10.0 109.419 176.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.62 179.33 4.79 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 122.117 0.96 . . . . 10.0 112.521 167.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 p -150.57 122.34 4.01 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 125.174 1.39 . . . . 10.0 107.486 158.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -74.47 152.04 43.09 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 121.993 1.796 . . . . 10.0 111.092 -170.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -58.24 -29.98 89.4 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.022 2.481 . . . . 10.0 111.829 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.72 9.78 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.085 0.85 . . . . 10.0 113.406 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -62.49 -52.97 61.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.572 1.186 . . . . 10.0 111.454 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 m -54.17 -47.54 71.89 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.73 -0.606 . . . . 10.0 111.235 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.31 96.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.43 0.692 . . . . 10.0 112.226 176.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.34 -56.63 16.65 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 123.442 0.697 . . . . 10.0 110.828 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.5 mm -52.48 -50.56 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-N 118.944 0.793 . . . . 10.0 111.784 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.45 -55.34 29.84 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.969 -0.457 . . . . 10.0 111.661 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.7 p -63.45 -33.31 75.27 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.323 0.86 . . . . 10.0 113.323 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.18 -57.35 12.81 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.538 1.135 . . . . 10.0 110.049 172.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -50.4 -50.41 51.82 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.696 0.398 . . . . 10.0 111.238 174.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -55.15 -62.16 1.85 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 117.771 0.26 . . . . 10.0 111.209 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.1 t -48.59 -46.19 39.03 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.771 1.228 . . . . 10.0 113.054 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -77.15 -10.81 59.63 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.981 1.104 . . . . 10.0 113.981 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.4 mm 69.28 -51.8 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 126.497 1.919 . . . . 10.0 112.082 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--O 1.251 1.175 0 C-N-CA 125.138 1.375 . . . . 10.0 109.746 171.128 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 18.7 t30 . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.76 0.314 . . . . 10.0 111.763 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.3 mt -76.68 -70.24 0.47 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.773 0.657 . . . . 10.0 112.773 -168.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.85 -42.22 88.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 O-C-N 121.529 -0.732 . . . . 10.0 111.654 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.7 p -54.9 -57.82 10.1 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.51 1.124 . . . . 10.0 110.752 169.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -47.23 -49.45 19.06 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 123.882 0.753 . . . . 10.0 113.14 174.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -53.46 -60.65 3.03 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.987 0.915 . . . . 10.0 112.04 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 pt -62.0 -41.15 89.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 O-C-N 121.458 -0.776 . . . . 10.0 112.187 -178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -53.34 -52.5 59.02 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.888 0.875 . . . . 10.0 111.434 172.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -47.39 86.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.7 0.8 . . . . 10.0 112.342 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -57.06 -51.65 68.42 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.836 -0.54 . . . . 10.0 111.522 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -59.37 -41.53 89.54 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.336 0.654 . . . . 10.0 111.881 176.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.4 -55.0 38.84 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.395 -0.815 . . . . 10.0 111.175 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 48.0 tp -46.01 -56.29 5.72 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.951 0.9 . . . . 10.0 110.911 173.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -52.87 -57.2 11.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.268 1.027 . . . . 10.0 112.287 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -61.5 -46.1 91.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.279 0.631 . . . . 10.0 112.501 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.28 -51.59 69.32 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.612 0.765 . . . . 10.0 110.225 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -54.88 -51.34 66.28 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.84 -0.538 . . . . 10.0 111.995 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -53.17 -48.66 67.83 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.594 0.758 . . . . 10.0 111.962 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -55.2 -53.75 52.01 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.763 -0.586 . . . . 10.0 111.22 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.34 -29.54 70.53 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.046 0.758 . . . . 10.0 113.046 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.68 -54.8 19.29 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.125 -0.984 . . . . 10.0 110.46 170.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -58.11 -33.23 68.89 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.098 0.959 . . . . 10.0 113.015 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -47.58 -40.43 19.21 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.751 0.82 . . . . 10.0 112.456 168.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 84.0 tttt 69.51 -57.47 0.54 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.112 1.765 . . . . 10.0 115.703 166.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.06 -1.447 . . . . 10.0 113.126 -175.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.74 70.15 1.86 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.678 0.791 . . . . 10.0 111.474 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -71.21 -8.95 57.05 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 66.47 -53.86 0.42 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.823 2.049 . . . . 10.0 113.32 -170.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.91 111.27 4.46 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.645 1.578 . . . . 10.0 108.653 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -75.41 142.79 27.06 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 122.012 1.808 . . . . 10.0 110.861 -171.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.13 -35.87 11.25 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.988 3.125 . . . . 10.0 114.116 172.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.91 -39.59 8.88 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 124.347 0.975 . . . . 10.0 113.781 171.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -61.34 -53.13 60.59 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.197 0.999 . . . . 10.0 111.438 174.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -54.47 -46.78 73.43 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.367 0.667 . . . . 10.0 111.171 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.52 92.27 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.548 0.739 . . . . 10.0 112.156 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.52 -56.61 15.57 Favored 'General case' 0 C--O 1.221 -0.408 0 O-C-N 121.677 -0.639 . . . . 10.0 110.803 171.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 14.7 mm -51.41 -53.56 15.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 CA-C-N 118.983 0.811 . . . . 10.0 111.932 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -53.07 -52.02 59.9 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.958 -0.464 . . . . 10.0 111.452 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 39.6 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.712 1.004 . . . . 10.0 113.712 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.37 -44.54 96.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.304 1.442 . . . . 10.0 110.633 173.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -64.18 -47.06 81.28 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.508 0.558 . . . . 10.0 112.508 170.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -63.27 -32.17 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.9 -1.125 . . . . 10.0 113.208 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 36.4 t -74.47 2.65 9.08 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.149 0.979 . . . . 10.0 112.603 168.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 66.91 32.69 6.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.18 1.792 . . . . 10.0 113.13 173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 33.1 mm -91.66 -30.14 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 121.912 -0.493 . . . . 10.0 111.708 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.775 -1.107 . . . . 10.0 112.218 175.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.7 t30 . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 112.09 0.404 . . . . 10.0 112.09 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 58.1 tp -55.3 -49.46 72.08 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.736 0.814 . . . . 10.0 112.295 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -77.66 66.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 122.835 1.303 . . . . 10.0 110.348 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t 168.99 -60.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 129.766 3.226 . . . . 10.0 107.504 -176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.36 -48.74 53.64 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.229 0.919 . . . . 10.0 112.614 173.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.3 tp -53.93 -62.72 1.47 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 117.753 0.776 . . . . 10.0 111.594 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 42.2 pt -58.85 -43.41 88.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 O-C-N 122.084 -0.385 . . . . 10.0 111.782 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -55.71 -54.42 44.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.282 0.633 . . . . 10.0 111.536 174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -45.45 91.15 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.726 0.811 . . . . 10.0 112.223 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -58.43 -53.45 58.16 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.368 0.667 . . . . 10.0 112.304 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -58.77 -45.82 88.91 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.684 -0.635 . . . . 10.0 111.351 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -54.34 -57.8 9.86 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.905 0.482 . . . . 10.0 111.784 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 tp -44.57 -57.04 3.86 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.746 1.218 . . . . 10.0 111.318 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.4 -49.12 78.83 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.86 0.689 . . . . 10.0 112.86 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.13 -45.1 93.57 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.449 -0.782 . . . . 10.0 112.203 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -52.0 67.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.963 0.905 . . . . 10.0 110.178 176.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -53.88 -48.64 69.86 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.583 -0.698 . . . . 10.0 112.303 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -46.87 73.57 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.294 1.037 . . . . 10.0 112.309 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.25 -51.76 68.05 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.52 -0.738 . . . . 10.0 111.457 174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.52 98.64 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.52 -0.737 . . . . 10.0 112.765 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -60.8 -39.53 89.26 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.841 1.256 . . . . 10.0 111.321 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.84 -42.82 85.12 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 119.019 -0.515 . . . . 10.0 111.764 171.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 10.4 t -57.92 -70.84 0.12 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.394 1.078 . . . . 10.0 111.927 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 pttm 32.04 41.69 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.266 1.826 . . . . 10.0 115.222 -176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.806 -1.092 . . . . 10.0 113.391 -164.255 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -74.4 64.17 1.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.513 0.597 . . . . 10.0 112.113 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -117.14 155.3 29.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.84 1.656 . . . . 10.0 110.132 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -76.94 76.34 3.51 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.065 -1.022 . . . . 10.0 112.105 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.6 t -42.11 107.74 0.55 Allowed Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 125.336 1.454 . . . . 10.0 111.658 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -83.53 153.19 13.63 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.314 2.009 . . . . 10.0 111.263 -170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -59.1 -24.43 73.63 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.359 2.706 . . . . 10.0 112.466 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.43 -38.54 13.57 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.534 0.588 . . . . 10.0 113.225 167.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.98 -51.41 69.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.058 0.929 . . . . 10.0 111.237 173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 m -56.49 -44.14 80.38 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.476 0.711 . . . . 10.0 111.797 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.34 78.25 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.111 0.564 . . . . 10.0 112.038 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.74 -55.85 19.77 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.373 0.669 . . . . 10.0 111.083 173.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -57.53 -49.29 80.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 121.638 -0.663 . . . . 10.0 112.006 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.67 -51.48 68.57 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.577 -0.702 . . . . 10.0 111.708 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.4 p -62.38 -41.2 98.45 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.771 -0.581 . . . . 10.0 112.109 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.39 -54.1 47.93 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.21 -0.931 . . . . 10.0 110.767 172.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -56.3 -45.59 80.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.559 0.743 . . . . 10.0 112.443 176.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -50.96 -60.05 3.5 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.231 0.613 . . . . 10.0 111.092 171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.3 m -56.58 -41.17 76.5 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.792 -0.567 . . . . 10.0 112.229 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -79.02 1.05 25.29 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.78 1.232 . . . . 10.0 113.223 176.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 mm 68.27 -57.79 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 126.358 1.863 . . . . 10.0 112.244 -171.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 tt . . . . . 0 C--O 1.25 1.121 0 C-N-CA 125.03 1.332 . . . . 10.0 111.705 175.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 111.701 0.259 . . . . 10.0 111.701 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.3 tp 65.17 -68.27 0.11 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.979 1.712 . . . . 10.0 113.541 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.96 -70.45 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 124.229 1.012 . . . . 10.0 111.35 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.4 p -68.63 -29.08 67.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.571 -0.706 . . . . 10.0 110.307 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -41.57 -50.2 4.8 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 126.23 1.871 . . . . 10.0 113.722 175.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.18 -63.03 1.27 Allowed 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.759 0.78 . . . . 10.0 111.564 177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 47.2 pt -63.15 -41.83 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.659 -0.651 . . . . 10.0 112.372 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -54.24 -58.8 5.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.045 1.338 . . . . 10.0 111.499 175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -43.13 99.55 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.083 0.953 . . . . 10.0 111.934 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -57.82 -49.84 75.3 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.065 0.546 . . . . 10.0 111.542 175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -55.35 33.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.881 0.872 . . . . 10.0 110.385 175.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -50.8 -57.36 8.58 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 52.3 tp -48.82 -58.42 4.84 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.347 1.459 . . . . 10.0 111.286 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -61.42 -44.22 97.51 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.329 0.492 . . . . 10.0 112.329 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.16 -45.44 90.97 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.937 0.789 . . . . 10.0 111.717 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -54.81 26.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.932 0.893 . . . . 10.0 109.54 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -45.22 -50.82 11.35 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.631 1.172 . . . . 10.0 112.369 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -61.27 -51.34 69.32 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.073 0.949 . . . . 10.0 111.742 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -42.5 85.55 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.627 -0.671 . . . . 10.0 111.97 176.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.49 -53.31 59.71 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.844 -0.535 . . . . 10.0 111.737 171.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -49.41 -42.2 41.91 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 120.646 -1.284 . . . . 10.0 112.048 175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -71.98 -8.32 53.81 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.68 1.363 . . . . 10.0 114.68 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 10.3 p -57.56 -32.51 67.19 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 120.294 1.406 . . . . 10.0 112.658 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -72.32 66.58 0.67 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.324 0.649 . . . . 10.0 110.642 170.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 116.736 -1.602 . . . . 10.0 112.548 179.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.246 0.07 . . . . 10.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -110.66 -172.97 2.14 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.458 1.103 . . . . 10.0 112.763 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 ttp85 -55.32 -30.51 60.37 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.719 1.208 . . . . 10.0 113.248 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -92.2 -71.12 0.66 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.336 1.054 . . . . 10.0 111.404 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.3 124.08 76.38 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 121.26 -0.9 . . . . 10.0 111.869 -175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -76.57 161.1 34.5 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.402 2.734 . . . . 10.0 111.882 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.47 -42.22 23.07 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.183 2.589 . . . . 10.0 111.803 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -39.68 -41.46 1.78 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.891 1.71 . . . . 10.0 114.751 169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -64.11 -54.93 26.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.367 1.584 . . . . 10.0 111.236 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -54.84 -46.89 74.69 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.305 0.642 . . . . 10.0 111.361 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.28 89.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.027 0.931 . . . . 10.0 112.046 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.76 -55.15 33.06 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.127 0.971 . . . . 10.0 110.452 172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.9 mm -53.17 -52.82 26.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 118.858 0.754 . . . . 10.0 111.843 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -52.93 -50.14 64.57 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.544 -0.722 . . . . 10.0 111.74 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 51.0 m -63.97 -36.48 84.11 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.479 0.712 . . . . 10.0 111.776 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.42 -52.36 65.95 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.333 1.053 . . . . 10.0 109.774 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 60.6 ttm-85 -52.3 -48.87 65.13 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 122.719 0.408 . . . . 10.0 111.611 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -55.38 -59.66 4.49 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 30.6 t -48.42 -46.48 37.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.43 1.092 . . . . 10.0 112.887 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -85.75 4.49 36.54 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.624 0.972 . . . . 10.0 113.624 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 mm 67.71 -62.88 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.231 1.812 . . . . 10.0 112.494 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.696 -1.145 . . . . 10.0 111.982 -179.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.998 0.428 . . . . 10.0 111.589 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.08 137.66 58.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.887 0.475 . . . . 10.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 19.5 m -74.02 63.02 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 124.533 1.133 . . . . 10.0 112.997 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 77.3 p -35.31 -63.67 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 127.966 2.506 . . . . 10.0 113.006 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.53 -47.56 17.4 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.709 1.147 . . . . 10.0 113.551 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 tp -69.39 -50.36 46.77 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 117.932 0.866 . . . . 10.0 111.327 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.2 pt -61.1 -39.82 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.464 -0.773 . . . . 10.0 111.866 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.19 -49.34 78.21 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.908 0.883 . . . . 10.0 111.083 172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -51.99 52.12 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.263 0.625 . . . . 10.0 111.703 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.48 -47.46 81.83 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.441 0.696 . . . . 10.0 112.492 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -57.23 -51.1 70.7 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.603 -0.686 . . . . 10.0 112.425 176.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -40.79 91.12 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.928 -0.709 . . . . 10.0 111.622 178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -50.33 -57.04 8.81 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.901 0.773 . . . . 10.0 110.616 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -50.84 -57.14 9.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.008 0.923 . . . . 10.0 111.555 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -59.43 -44.81 92.82 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 tt -61.59 -51.45 68.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.574 0.75 . . . . 10.0 110.389 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -43.85 71.86 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.376 -0.827 . . . . 10.0 112.159 173.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -63.05 -44.73 95.04 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.971 1.308 . . . . 10.0 111.433 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -57.33 -51.91 67.47 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.462 -0.774 . . . . 10.0 111.183 170.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -59.99 -30.42 69.11 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.034 0.753 . . . . 10.0 113.034 176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.76 -63.48 1.16 Allowed 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.042 -1.036 . . . . 10.0 109.539 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -52.29 -33.22 41.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.25 1.02 . . . . 10.0 113.694 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.9 t -43.96 -37.86 3.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.899 1.28 . . . . 10.0 114.236 170.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -151.71 -39.6 0.12 Allowed 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.704 1.372 . . . . 10.0 114.704 -171.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.25 1.106 0 C-N-CA 125.02 1.328 . . . . 10.0 111.168 -168.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.045 -0.502 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 67.6 -52.05 0.5 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.303 1.841 . . . . 10.0 114.696 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -55.15 0.61 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.48 1.512 . . . . 10.0 111.769 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -143.4 139.4 29.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.929 0.891 . . . . 10.0 112.096 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.46 119.59 66.64 Favored Pre-proline 0 CA--C 1.542 0.635 0 N-CA-C 108.9 -0.778 . . . . 10.0 108.9 172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -72.61 150.81 51.65 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 122.07 1.847 . . . . 10.0 111.354 -171.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.73 -26.35 81.92 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.371 2.714 . . . . 10.0 112.293 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.36 -37.96 6.53 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.012 0.815 . . . . 10.0 113.053 166.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -59.75 -52.89 63.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.232 1.016 . . . . 10.0 111.636 173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 m -57.07 -48.0 79.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.436 0.694 . . . . 10.0 111.334 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.92 75.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.244 0.618 . . . . 10.0 111.928 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 12' ' ' LEU . 2.9 tm? -52.41 -58.04 7.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.385 1.074 . . . . 10.0 110.968 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.3 mm -53.29 -51.57 39.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 C-N-CA 123.796 0.838 . . . . 10.0 111.586 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -53.3 -52.09 60.21 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.943 0.497 . . . . 10.0 111.452 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.9 m -61.16 -45.22 95.53 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.341 0.656 . . . . 10.0 111.944 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.19 -53.58 56.47 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.928 1.291 . . . . 10.0 110.439 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 ttp85 -53.44 -46.6 69.89 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.037 0.935 . . . . 10.0 111.244 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -56.73 -56.48 20.98 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 173.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.5 t -52.86 -43.77 66.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.634 0.774 . . . . 10.0 112.365 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -72.43 -3.99 27.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.159 1.384 . . . . 10.0 113.228 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 71.15 -59.01 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.749 2.02 . . . . 10.0 111.889 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--O 1.253 1.286 0 CA-C-O 116.857 -1.544 . . . . 10.0 111.417 174.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 112.782 0.66 . . . . 10.0 112.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.45 -72.55 0.05 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.222 2.209 . . . . 10.0 113.763 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 p -153.0 149.69 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.292 1.037 . . . . 10.0 110.809 -175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 67.5 p -167.3 -133.88 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.279 1.432 . . . . 10.0 109.547 168.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.58 53.19 4.24 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.219 -0.926 . . . . 10.0 113.926 -171.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.04 -56.87 11.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.586 1.154 . . . . 10.0 110.437 176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -43.35 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 123.807 0.843 . . . . 10.0 112.332 175.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -63.26 -45.08 93.16 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.663 0.665 . . . . 10.0 111.616 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.88 -54.72 34.72 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.295 0.638 . . . . 10.0 111.316 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -61.53 -40.73 95.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.058 -0.519 . . . . 10.0 112.392 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -57.13 -55.18 38.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.597 0.759 . . . . 10.0 110.689 175.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.78 -42.57 99.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.124 0.875 . . . . 10.0 111.6 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -49.88 -58.79 4.68 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.622 0.647 . . . . 10.0 111.277 171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -57.06 -53.6 56.28 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.728 0.811 . . . . 10.0 111.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -54.53 -50.07 68.76 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.721 1.208 . . . . 10.0 111.837 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 59.2 tp -58.95 -51.25 70.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.684 0.794 . . . . 10.0 110.903 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.84 -43.16 80.84 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.799 -0.563 . . . . 10.0 112.072 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -62.28 -49.02 77.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.464 1.106 . . . . 10.0 111.072 177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -54.41 -51.65 64.23 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.411 0.684 . . . . 10.0 111.404 172.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.55 -28.65 69.31 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.502 -0.749 . . . . 10.0 112.538 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.16 -50.09 62.44 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.86 -1.15 . . . . 10.0 110.564 167.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -35.32 63.43 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.444 1.498 . . . . 10.0 112.488 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.4 t -50.37 -32.87 18.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.816 1.247 . . . . 10.0 112.71 170.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt 72.93 -52.82 0.71 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.357 1.863 . . . . 10.0 115.027 166.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.251 1.147 0 CA-C-O 116.605 -1.664 . . . . 10.0 113.111 -179.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -65.3 90.4 0.1 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -124.51 135.71 53.41 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.653 1.581 . . . . 10.0 107.46 160.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 64.6 -66.66 0.12 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.037 1.335 . . . . 10.0 111.562 -167.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.31 113.73 10.52 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.054 1.342 . . . . 10.0 110.135 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -71.65 146.97 50.18 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.274 1.983 . . . . 10.0 111.947 -167.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -57.15 -34.34 97.56 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 123.055 2.503 . . . . 10.0 111.323 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.81 -41.83 10.56 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.074 0.845 . . . . 10.0 113.585 168.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -66.59 -52.48 44.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.546 1.173 . . . . 10.0 111.315 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 10.7 m -55.51 -47.32 76.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.284 0.634 . . . . 10.0 111.584 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.27 -46.4 86.1 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.011 0.924 . . . . 10.0 112.055 173.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.19 -52.61 60.66 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.612 -0.68 . . . . 10.0 111.079 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -53.09 -53.38 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 118.861 0.755 . . . . 10.0 111.602 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -56.63 -53.73 54.21 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.876 -0.515 . . . . 10.0 112.024 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 65.0 p -63.36 -37.61 87.92 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.658 0.614 . . . . 10.0 112.658 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.76 -57.43 12.7 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.047 0.839 . . . . 10.0 110.632 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.96 -51.03 17.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.178 0.991 . . . . 10.0 111.109 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -61.37 -62.29 1.93 Allowed 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.73 -49.44 19.57 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.068 1.347 . . . . 10.0 112.56 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -83.56 -7.15 59.58 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.502 0.927 . . . . 10.0 113.502 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 26.4 mm 67.43 -55.23 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 125.854 1.662 . . . . 10.0 111.735 -170.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.077 1.751 . . . . 10.0 108.656 167.38 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 61.4 t-20 . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 112.409 0.522 . . . . 10.0 112.409 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.4 tp -56.8 142.91 39.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.637 0.775 . . . . 10.0 111.573 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 92.7 t -42.76 -50.68 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.409 1.484 . . . . 10.0 113.404 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 33.2 p -52.74 -66.95 0.3 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.181 0.992 . . . . 10.0 111.711 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.7 -52.3 9.48 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.693 1.139 . . . . 10.0 112.587 175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 tp -48.47 -65.35 0.58 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.387 1.475 . . . . 10.0 111.972 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -62.16 -44.96 99.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 O-C-N 121.911 -0.493 . . . . 10.0 111.556 -175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -58.74 -51.75 68.64 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.783 0.72 . . . . 10.0 111.65 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.59 86.01 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.067 0.547 . . . . 10.0 112.203 177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttm-85 -66.36 -45.49 79.98 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.369 0.507 . . . . 10.0 112.369 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -57.33 -49.88 74.73 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.725 -0.609 . . . . 10.0 111.284 171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -54.3 -55.65 26.22 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.684 0.794 . . . . 10.0 111.698 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 45.5 tp -46.76 -60.95 2.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.553 1.141 . . . . 10.0 111.744 172.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.33 -35.78 81.24 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.149 0.796 . . . . 10.0 113.149 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -68.32 -41.26 81.06 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.357 0.981 . . . . 10.0 111.84 175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -57.22 -58.1 9.72 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.574 -0.704 . . . . 10.0 110.538 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 -45.31 -54.49 7.06 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.88 0.872 . . . . 10.0 112.144 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -53.45 -56.39 17.28 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.361 1.464 . . . . 10.0 112.038 176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.6 tttp -57.64 -46.49 84.11 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.776 -0.578 . . . . 10.0 111.729 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.97 -47.64 83.93 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.124 0.569 . . . . 10.0 111.32 178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -52.02 -46.75 65.11 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.216 -0.928 . . . . 10.0 111.02 171.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -16.98 13.95 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.376 1.07 . . . . 10.0 113.685 176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 58.4 m -59.49 -34.4 72.54 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.388 1.449 . . . . 10.0 111.631 170.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 60.4 tttp 68.54 -54.29 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.156 1.782 . . . . 10.0 113.58 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 116.363 -1.78 . . . . 10.0 113.093 177.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 112.085 0.402 . . . . 10.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.09 45.28 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.503 1.921 . . . . 10.0 113.177 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -58.58 0.4 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.307 2.243 . . . . 10.0 112.066 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -83.27 -53.96 5.36 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.551 0.945 . . . . 10.0 113.551 -173.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -95.23 117.42 66.72 Favored Pre-proline 0 CA--C 1.543 0.689 0 O-C-N 121.506 -0.746 . . . . 10.0 111.049 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -82.97 159.87 15.78 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.426 2.751 . . . . 10.0 111.969 -173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -55.3 -35.36 91.26 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.225 2.617 . . . . 10.0 111.219 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.45 -38.85 9.58 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 124.315 0.96 . . . . 10.0 113.833 169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -63.04 -55.25 27.14 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.527 1.164 . . . . 10.0 110.551 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.6 m -53.25 -51.16 63.13 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.668 0.787 . . . . 10.0 111.729 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -51.66 67.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.761 0.824 . . . . 10.0 111.97 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.68 -54.72 43.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.721 0.808 . . . . 10.0 110.855 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.9 mm -50.37 -53.09 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.091 0.956 . . . . 10.0 111.136 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -56.12 -53.5 56.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.342 0.519 . . . . 10.0 111.913 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.4 m -59.41 -42.07 90.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.096 0.558 . . . . 10.0 111.836 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -64.5 -52.89 55.53 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 125.261 1.424 . . . . 10.0 110.681 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -52.57 -45.07 66.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.961 0.905 . . . . 10.0 110.98 176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -60.09 -60.02 4.49 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 122.162 -0.336 . . . . 10.0 111.843 170.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 t -44.66 -49.37 10.41 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.362 1.465 . . . . 10.0 113.322 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -88.05 -1.67 58.14 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.246 1.019 . . . . 10.0 113.146 -178.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.5 mm 67.04 -57.77 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 126.27 1.828 . . . . 10.0 112.374 -172.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tp . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.932 -1.033 . . . . 10.0 111.833 175.086 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.1 mt 31.36 -89.26 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 128.452 2.701 . . . . 10.0 115.388 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.2 m -51.73 -37.49 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.025 0.93 . . . . 10.0 112.22 178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -57.6 -58.24 9.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.214 1.005 . . . . 10.0 110.615 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.22 44.0 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.023 0.82 . . . . 10.0 111.931 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 tp -54.4 -55.92 23.84 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 117.693 0.746 . . . . 10.0 112.316 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -63.65 -39.52 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.398 -0.814 . . . . 10.0 112.514 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -62.52 -47.51 83.6 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.361 0.982 . . . . 10.0 112.005 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.56 87.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.424 -0.798 . . . . 10.0 111.559 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -61.72 -40.38 94.86 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.573 -0.704 . . . . 10.0 112.159 172.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -62.78 -43.66 98.21 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.173 -0.954 . . . . 10.0 111.222 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.59 -56.91 14.8 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.065 -1.022 . . . . 10.0 111.03 170.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -48.48 -49.33 36.14 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.225 1.41 . . . . 10.0 112.532 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -64.22 -48.75 74.65 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.908 1.683 . . . . 10.0 112.349 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -56.9 -46.16 82.11 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.397 -0.815 . . . . 10.0 110.925 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.51 -49.48 74.6 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.96 -0.543 . . . . 10.0 111.796 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -50.35 -59.48 3.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.277 0.944 . . . . 10.0 111.24 171.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -42.06 64.34 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.421 1.089 . . . . 10.0 112.892 -177.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -69.03 -56.93 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.455 0.645 . . . . 10.0 111.492 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.66 -36.67 83.62 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.247 -0.908 . . . . 10.0 112.337 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -63.74 -28.74 70.09 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.615 . . . . 10.0 112.373 170.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.61 -35.28 58.18 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.612 -0.68 . . . . 10.0 111.481 175.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -65.01 -67.3 0.45 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.32 0.648 . . . . 10.0 110.999 170.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? 59.86 -73.38 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.52 1.928 . . . . 10.0 115.143 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.484 1.914 . . . . 10.0 113.867 -167.474 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 67.62 -177.74 0.21 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.929 1.292 . . . . 10.0 111.05 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -9.29 99.73 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 128.141 2.576 . . . . 10.0 115.991 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 142.92 58.25 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 165.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -132.68 90.84 31.66 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 123.563 0.745 . . . . 10.0 109.846 -178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -74.87 147.67 34.87 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.274 1.983 . . . . 10.0 111.482 -171.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -58.26 -32.15 95.25 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.141 2.56 . . . . 10.0 112.06 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.19 -42.47 32.13 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 123.673 0.654 . . . . 10.0 113.113 170.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.04 -49.8 68.73 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.28 1.04 . . . . 10.0 110.826 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -50.79 -49.94 57.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.103 0.561 . . . . 10.0 111.297 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.25 94.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.732 1.613 . . . . 10.0 112.72 175.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -49.57 -56.92 8.21 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 123.21 0.604 . . . . 10.0 110.235 171.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -56.48 -46.83 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.274 0.472 . . . . 10.0 112.274 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -52.03 -51.96 53.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.122 0.873 . . . . 10.0 111.802 173.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -63.44 -34.67 78.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.307 0.854 . . . . 10.0 113.307 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.66 -53.3 59.6 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.497 -0.752 . . . . 10.0 110.597 174.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -59.34 -45.94 89.99 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.712 0.405 . . . . 10.0 111.824 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -50.63 -50.12 55.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 118.717 0.69 . . . . 10.0 111.822 171.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -66.05 -54.4 26.38 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -85.01 -21.19 29.55 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.017 1.117 . . . . 10.0 114.017 -173.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.6 mm 68.91 -62.2 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 C-N-CA 125.957 1.703 . . . . 10.0 111.253 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.866 -1.064 . . . . 10.0 112.002 173.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p30 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 112.168 0.432 . . . . 10.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.03 -42.14 84.7 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -173.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.91 -31.2 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 114.262 1.208 . . . . 10.0 114.262 -168.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -133.35 -44.93 0.83 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.077 0.951 . . . . 10.0 113.241 -173.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.25 66.53 3.18 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 123.826 0.727 . . . . 10.0 113.712 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 tt -45.48 -57.63 3.97 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.354 1.462 . . . . 10.0 110.436 172.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.08 -45.08 76.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 177.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -62.21 -54.43 41.1 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.54 -0.725 . . . . 10.0 110.967 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.82 88.58 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.476 0.71 . . . . 10.0 111.46 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -59.24 -45.97 89.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.462 0.705 . . . . 10.0 111.936 174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -58.35 -49.06 78.57 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.178 0.899 . . . . 10.0 111.785 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.48 -55.69 23.22 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.676 0.671 . . . . 10.0 111.707 173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 -56.97 10.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.012 1.325 . . . . 10.0 111.161 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.76 -56.02 11.83 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.097 1.759 . . . . 10.0 111.987 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.9 -48.0 83.83 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.861 -0.524 . . . . 10.0 111.658 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 35.7 tp -55.82 -53.84 51.75 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.922 -0.487 . . . . 10.0 111.468 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.64 -50.72 59.77 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.557 1.143 . . . . 10.0 112.41 173.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -45.95 77.47 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.015 1.326 . . . . 10.0 112.46 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -65.02 -47.83 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.063 -1.023 . . . . 10.0 111.599 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 79.7 mt -60.85 -28.38 68.79 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.53 -0.731 . . . . 10.0 112.73 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.55 -56.25 8.92 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.972 -1.08 . . . . 10.0 110.28 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.85 -31.79 41.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.738 1.215 . . . . 10.0 112.962 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -45.56 -27.39 0.74 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.047 1.339 . . . . 10.0 113.597 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -68.17 65.77 0.1 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.355 -0.841 . . . . 10.0 111.367 164.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.962 -1.018 . . . . 10.0 112.483 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.67 69.06 3.02 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.36 -0.837 . . . . 10.0 111.687 -176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.4 ttp-105 69.21 -42.44 0.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.578 2.351 . . . . 10.0 114.811 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 68.54 -59.49 0.45 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.155 1.782 . . . . 10.0 112.245 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.99 107.55 38.23 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 124.145 0.978 . . . . 10.0 111.45 -173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -77.04 142.22 21.71 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.161 1.907 . . . . 10.0 111.545 -175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.06 -37.45 17.7 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.861 3.041 . . . . 10.0 113.786 172.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.1 -41.49 22.42 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 123.797 0.713 . . . . 10.0 113.234 172.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.75 -47.94 70.7 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 117.934 0.867 . . . . 10.0 111.547 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.3 m -51.88 -49.97 61.92 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.617 -0.677 . . . . 10.0 111.241 175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.84 -48.05 83.25 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.02 1.328 . . . . 10.0 112.259 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -48.7 -55.95 9.91 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 10.0 110.606 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 mm -57.11 -51.38 69.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 O-C-N 121.751 -0.593 . . . . 10.0 112.441 177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.45 -53.27 59.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 10.0 112.013 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.8 p -59.94 -45.25 93.2 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.507 0.723 . . . . 10.0 112.061 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.0 tt -54.27 -51.8 63.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.364 1.066 . . . . 10.0 111.474 173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.8 -51.83 67.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.567 0.347 . . . . 10.0 111.055 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.71 -52.05 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.814 -0.554 . . . . 10.0 111.924 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -48.79 -50.25 35.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.793 1.237 . . . . 10.0 112.092 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -75.16 -18.79 60.12 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.639 1.348 . . . . 10.0 114.639 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.2 mm 70.67 -53.5 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.756 2.022 . . . . 10.0 112.246 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.6 mm . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.339 1.456 . . . . 10.0 110.852 174.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t-20 . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 111.772 0.286 . . . . 10.0 111.772 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 76.7 mt -61.3 -14.71 28.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.283 1.216 . . . . 10.0 114.283 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.24 -25.12 29.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 O-C-N 121.229 -0.92 . . . . 10.0 111.918 167.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -63.53 74.23 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.277 1.431 . . . . 10.0 112.318 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.51 22.57 5.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.652 1.596 . . . . 10.0 113.229 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -34.43 -60.41 0.42 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.609 1.963 . . . . 10.0 113.133 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.73 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -64.54 -46.29 83.5 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.696 -0.627 . . . . 10.0 110.652 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.01 -46.04 78.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.283 0.633 . . . . 10.0 111.918 174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.3 -41.68 76.45 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.967 0.728 . . . . 10.0 112.967 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.62 -49.23 77.13 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.274 -0.891 . . . . 10.0 111.447 170.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -51.87 -56.56 13.28 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.754 0.822 . . . . 10.0 111.563 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 26.9 tp -48.16 -56.14 8.6 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.041 0.936 . . . . 10.0 111.192 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -58.25 -45.03 88.54 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 112.522 0.564 . . . . 10.0 112.522 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -61.94 -45.51 93.38 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.456 -0.778 . . . . 10.0 111.788 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 -54.29 48.47 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.038 0.935 . . . . 10.0 109.947 177.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -45.32 -55.14 6.27 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.151 0.98 . . . . 10.0 111.829 168.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -55.39 -41.73 73.06 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.321 1.048 . . . . 10.0 112.469 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.71 -54.69 44.21 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.835 0.743 . . . . 10.0 112.025 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.57 -28.85 70.22 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.477 -0.764 . . . . 10.0 112.606 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -63.52 -60.32 3.51 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.249 -0.907 . . . . 10.0 109.902 169.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.69 -36.16 34.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.841 1.257 . . . . 10.0 112.354 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 31.7 t -47.78 -49.41 28.79 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.471 0.915 . . . . 10.0 113.471 173.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -161.78 25.08 0.12 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.33 1.604 . . . . 10.0 115.33 -167.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.44 -1.267 . . . . 10.0 110.088 175.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.657 -0.211 . . . . 10.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 64.66 -58.04 0.25 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.67 1.588 . . . . 10.0 114.852 176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 71.12 -59.3 0.55 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.96 1.704 . . . . 10.0 112.849 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.02 92.26 0.08 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.283 1.033 . . . . 10.0 110.969 175.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 95.6 t -62.15 114.36 11.39 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 124.441 1.096 . . . . 10.0 110.213 174.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.78 130.62 5.91 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.064 1.843 . . . . 10.0 111.833 -166.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -60.27 -30.54 91.36 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.742 2.294 . . . . 10.0 111.891 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.87 -38.91 31.48 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 123.558 0.599 . . . . 10.0 113.228 170.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -64.41 -51.32 63.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.625 1.213 . . . . 10.0 110.937 176.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -52.35 -50.14 62.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.576 0.75 . . . . 10.0 111.546 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.68 78.82 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.702 0.801 . . . . 10.0 112.05 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.94 -53.28 58.76 Favored 'General case' 0 C--O 1.224 -0.271 0 O-C-N 121.718 -0.614 . . . . 10.0 111.435 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mm -54.26 -50.12 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 118.806 0.73 . . . . 10.0 111.373 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -58.79 -53.57 56.84 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.661 -0.649 . . . . 10.0 112.198 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.6 p -62.19 -37.71 86.32 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.644 -0.66 . . . . 10.0 112.437 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.78 -53.44 57.96 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.088 0.955 . . . . 10.0 110.57 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -42.96 69.05 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.223 0.609 . . . . 10.0 111.785 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -59.3 -58.36 8.96 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.741 -0.599 . . . . 10.0 110.91 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -48.56 -43.68 35.92 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.575 1.55 . . . . 10.0 113.151 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -70.61 -17.14 62.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.999 1.111 . . . . 10.0 113.999 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 46.0 mt 70.74 -55.21 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 126.699 2.0 . . . . 10.0 112.588 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.168 0 CA-C-O 116.919 -1.515 . . . . 10.0 112.167 173.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.845 0.355 . . . . 10.0 111.415 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 92.6 mt -124.4 -55.12 1.66 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.3 1.84 . . . . 10.0 109.635 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -49.18 -44.21 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.035 1.334 . . . . 10.0 112.252 176.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 30.3 m 66.04 89.74 0.1 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.193 1.183 . . . . 10.0 114.193 169.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.16 64.06 0.98 Allowed Glycine 0 CA--C 1.538 1.506 0 O-C-N 121.588 -0.695 . . . . 10.0 112.792 173.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.4 tp -48.29 -64.61 0.75 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.197 1.799 . . . . 10.0 112.538 -172.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 pt -61.32 -40.64 86.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.994 -0.441 . . . . 10.0 112.119 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -60.88 -54.43 45.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.801 0.84 . . . . 10.0 110.454 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.45 96.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.261 0.624 . . . . 10.0 111.912 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.65 -49.77 76.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.237 0.615 . . . . 10.0 112.311 172.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.33 -49.16 75.13 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.111 0.869 . . . . 10.0 111.649 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.13 -59.3 4.73 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.788 0.835 . . . . 10.0 111.365 175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -50.67 -54.44 23.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.157 0.983 . . . . 10.0 112.074 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 36.3 tp10 -60.89 -45.55 94.14 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.32 0.648 . . . . 10.0 112.535 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -57.58 -49.42 76.46 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.044 0.838 . . . . 10.0 111.464 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 33.7 mt -58.73 -55.45 34.88 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.987 -0.446 . . . . 10.0 111.434 177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -46.04 -54.02 9.17 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.521 1.128 . . . . 10.0 111.578 173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.82 -46.3 81.75 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.308 1.043 . . . . 10.0 111.791 178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -57.72 -54.47 46.47 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.734 -0.604 . . . . 10.0 111.779 175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.74 -35.17 77.32 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.523 -0.735 . . . . 10.0 112.187 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -61.96 -50.9 70.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.955 -1.091 . . . . 10.0 110.99 171.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.67 73.7 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.655 1.182 . . . . 10.0 112.193 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.6 t -49.6 -43.81 46.7 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.574 0.624 . . . . 10.0 112.002 171.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 29.1 tptp 69.23 -57.65 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.047 1.869 . . . . 10.0 116.047 164.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 116.936 -1.506 . . . . 10.0 113.139 -174.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 112.366 0.506 . . . . 10.0 112.366 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.02 111.45 1.18 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.887 0.475 . . . . 10.0 111.41 175.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 67.21 -58.02 0.42 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.329 1.452 . . . . 10.0 112.508 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.42 -173.96 4.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.188 0.995 . . . . 10.0 112.754 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.3 t -121.02 126.14 26.74 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 125.716 1.607 . . . . 10.0 106.938 165.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.51 134.27 24.04 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 121.921 1.747 . . . . 10.0 111.01 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -60.14 -25.24 79.38 Favored 'Trans proline' 0 CA--C 1.536 0.591 0 C-N-CA 122.417 2.078 . . . . 10.0 111.558 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.6 5.87 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.081 0.848 . . . . 10.0 113.495 165.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -60.91 -52.51 64.75 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.593 1.196 . . . . 10.0 111.279 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -55.66 -47.7 76.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.5 0.72 . . . . 10.0 111.395 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.79 78.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.325 0.65 . . . . 10.0 111.872 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.79 -52.51 60.04 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.698 0.799 . . . . 10.0 111.187 173.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.9 mm -54.14 -52.17 40.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 O-C-N 121.588 -0.695 . . . . 10.0 112.021 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -58.65 -52.45 65.61 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.618 -0.676 . . . . 10.0 111.975 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.3 p -61.77 -40.23 94.42 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.812 -0.555 . . . . 10.0 112.383 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.08 -56.43 20.9 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.082 0.953 . . . . 10.0 110.647 170.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.24 -43.25 64.22 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.61 0.764 . . . . 10.0 111.842 177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.44 -61.92 2.11 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.799 -0.563 . . . . 10.0 111.021 173.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 53.8 t -45.41 -47.19 13.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.168 1.787 . . . . 10.0 113.408 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -78.15 -1.52 33.07 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.893 1.071 . . . . 10.0 113.893 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.4 mm 71.19 -52.36 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 126.375 1.87 . . . . 10.0 113.124 177.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 77.7 mt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.067 -1.444 . . . . 10.0 110.754 175.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 4.7 p30 . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.382 0.134 . . . . 10.0 111.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.93 -57.39 12.83 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.849 -0.532 . . . . 10.0 112.24 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.3 p -163.08 162.3 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.375 1.07 . . . . 10.0 110.223 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 40.9 m 69.67 -64.12 0.36 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.136 1.775 . . . . 10.0 113.756 174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.45 -43.19 6.06 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.808 1.194 . . . . 10.0 112.412 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 26.3 tp -12.11 -62.45 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 129.033 2.933 . . . . 10.0 115.26 165.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 18.3 pt -64.07 -45.54 96.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 118.988 0.813 . . . . 10.0 112.337 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.35 -46.76 66.24 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.715 0.806 . . . . 10.0 110.382 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.67 87.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.879 0.872 . . . . 10.0 111.705 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.0 ttm-85 -60.35 -51.37 69.78 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.05 0.94 . . . . 10.0 111.486 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -53.11 -53.14 54.75 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.347 0.522 . . . . 10.0 111.232 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -51.99 -60.9 2.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.376 1.47 . . . . 10.0 112.142 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -47.94 -56.86 6.62 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.601 1.16 . . . . 10.0 111.852 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -66.8 -40.47 88.1 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.193 0.597 . . . . 10.0 112.067 -174.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -61.73 -48.96 78.35 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.693 0.679 . . . . 10.0 111.692 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -54.06 -56.11 21.08 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.448 0.567 . . . . 10.0 110.984 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -48.81 -53.56 18.76 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.092 0.557 . . . . 10.0 112.224 174.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 44.7 ttm105 -54.98 -49.94 70.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.601 1.16 . . . . 10.0 112.305 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.75 -52.24 66.32 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.656 -0.653 . . . . 10.0 111.444 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.43 -34.37 70.73 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.972 0.909 . . . . 10.0 112.381 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -65.59 -59.51 3.88 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.211 -0.93 . . . . 10.0 110.192 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -57.62 -30.23 65.18 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 113.433 0.901 . . . . 10.0 113.433 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 42.4 t -46.03 -42.31 13.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.96 0.904 . . . . 10.0 112.688 167.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt 69.66 -55.43 0.58 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.302 1.841 . . . . 10.0 115.904 167.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.249 1.041 0 C-N-CA 124.877 1.271 . . . . 10.0 113.536 -174.756 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.203 0.446 . . . . 10.0 112.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -74.81 59.28 0.87 Allowed 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.052 1.13 . . . . 10.0 114.052 -170.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 45.09 58.46 4.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.437 1.495 . . . . 10.0 112.068 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -81.58 63.42 5.86 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.69 0.796 . . . . 10.0 111.358 -171.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.404 HG23 ' H ' ' C' ' 5' ' ' VAL . 21.7 t -24.56 104.69 0.12 Allowed Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 128.146 2.578 . . . . 10.0 113.709 -171.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.24 150.65 33.25 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.607 2.205 . . . . 10.0 112.122 -167.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -56.61 -36.88 98.38 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.79 2.326 . . . . 10.0 110.939 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.63 -39.18 22.95 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.119 0.866 . . . . 10.0 113.85 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -66.81 -55.21 15.9 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.584 1.192 . . . . 10.0 111.027 177.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 18.1 m -53.13 -47.05 69.0 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.865 -0.522 . . . . 10.0 111.113 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -47.75 84.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.57 1.148 . . . . 10.0 112.177 175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -51.27 -55.3 18.96 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.827 0.739 . . . . 10.0 110.916 171.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.91 -46.27 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.551 0.614 . . . . 10.0 111.969 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -54.82 -45.31 74.41 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.322 -0.861 . . . . 10.0 111.56 173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.2 m -66.24 -32.95 74.68 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.359 0.664 . . . . 10.0 111.846 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.48 -52.84 62.85 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.108 0.963 . . . . 10.0 110.153 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 79.7 mtm-85 -52.3 -49.13 64.79 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.321 0.248 . . . . 10.0 111.411 172.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -55.9 -56.06 25.14 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 40.1 t -48.79 -49.1 40.32 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.783 1.233 . . . . 10.0 111.682 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -83.59 10.81 8.26 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.636 0.976 . . . . 10.0 113.636 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 66.96 -60.72 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 126.512 1.925 . . . . 10.0 112.463 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 19.2 tt . . . . . 0 C--O 1.251 1.143 0 C-N-CA 124.547 1.139 . . . . 10.0 111.489 175.373 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 113.054 0.761 . . . . 10.0 113.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 tt -40.96 -39.78 1.25 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.764 2.026 . . . . 10.0 113.997 -176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -42.69 -42.47 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.656 1.182 . . . . 10.0 113.609 174.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.2 p -58.15 -63.77 1.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.307 0.643 . . . . 10.0 111.553 177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.56 12.21 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.121 1.343 . . . . 10.0 112.51 171.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 38.9 tp -58.08 -59.43 5.3 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 117.572 0.686 . . . . 10.0 112.429 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 pt -60.63 -39.91 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 119.3 0.955 . . . . 10.0 111.689 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.47 -54.41 44.21 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.124 0.57 . . . . 10.0 111.517 173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.29 81.72 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.852 0.861 . . . . 10.0 112.134 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.81 83.62 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.389 0.675 . . . . 10.0 111.908 178.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -61.08 -42.68 98.96 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 10.0 111.136 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -59.98 -52.37 65.7 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.473 -0.767 . . . . 10.0 111.463 173.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 49.6 tp -46.14 -55.93 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.886 1.275 . . . . 10.0 111.152 172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.09 -60.54 3.16 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.638 0.775 . . . . 10.0 112.049 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -57.11 -45.41 83.44 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.584 0.587 . . . . 10.0 112.584 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -51.0 68.47 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.686 0.794 . . . . 10.0 110.484 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.69 -45.45 73.97 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.457 -0.777 . . . . 10.0 111.91 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -59.46 -51.04 71.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.377 0.671 . . . . 10.0 111.133 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -52.96 -47.48 68.1 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.606 0.762 . . . . 10.0 111.42 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.72 -46.63 89.68 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.831 -0.543 . . . . 10.0 111.901 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -54.64 -40.36 68.92 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.851 -1.156 . . . . 10.0 111.414 173.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -17.48 20.07 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.666 1.187 . . . . 10.0 113.529 175.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -61.3 -25.99 67.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.847 1.203 . . . . 10.0 112.057 169.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.326 24.2 pttm 61.31 -49.86 0.12 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.551 2.741 . . . . 10.0 115.487 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--O 1.252 1.212 0 CA-C-O 116.817 -1.564 . . . . 10.0 112.031 172.618 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.55 65.28 1.75 Allowed 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.433 -0.792 . . . . 10.0 110.613 174.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -65.48 176.93 1.28 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.329 0.652 . . . . 10.0 111.311 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -56.49 -33.6 66.13 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.775 -0.578 . . . . 10.0 111.519 168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -142.7 119.73 7.0 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.895 1.278 . . . . 10.0 109.074 163.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.9 160.98 47.57 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.887 2.391 . . . . 10.0 112.804 -165.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -59.16 -22.67 65.63 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 123.345 2.697 . . . . 10.0 112.653 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.04 -43.06 24.24 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.864 -0.522 . . . . 10.0 112.684 165.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -62.4 -49.8 74.06 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.009 0.904 . . . . 10.0 111.29 173.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.7 m -50.59 -51.85 44.64 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 122.924 0.49 . . . . 10.0 111.061 176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.1 66.47 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.677 0.791 . . . . 10.0 112.108 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -52.17 -56.49 14.21 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.244 1.018 . . . . 10.0 111.715 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -68.59 -36.23 73.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 O-C-N 121.432 -0.792 . . . . 10.0 112.566 -176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.39 -42.58 82.47 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.066 -1.021 . . . . 10.0 111.517 167.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.4 m -62.36 -42.35 99.33 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.218 -0.926 . . . . 10.0 111.82 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.24 -45.56 90.82 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.238 -0.914 . . . . 10.0 111.709 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -42.26 72.15 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.165 -0.959 . . . . 10.0 111.681 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -62.14 -47.88 82.58 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.999 -1.063 . . . . 10.0 112.273 172.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -48.98 -45.95 42.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.548 1.067 . . . . 10.0 111.873 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -64.8 -12.83 52.14 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 70.39 -58.09 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.669 1.588 . . . . 10.0 111.809 -175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.097 0 CA-C-O 116.927 -1.511 . . . . 10.0 111.943 171.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.512 0.672 . . . . 10.0 111.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.55 -42.73 62.03 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.984 1.314 . . . . 10.0 112.306 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.29 -53.75 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 O-C-N 121.773 -0.579 . . . . 10.0 111.235 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 59.5 p -56.95 -46.71 81.93 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.061 -0.399 . . . . 10.0 111.387 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.51 -56.02 17.31 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.798 0.714 . . . . 10.0 112.002 173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -51.43 -60.41 3.17 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.048 1.339 . . . . 10.0 111.999 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 15.9 pt -62.5 -43.2 98.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.285 0.493 . . . . 10.0 112.208 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -64.4 -47.56 78.71 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.689 0.677 . . . . 10.0 111.871 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.99 -44.76 94.32 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.475 -0.766 . . . . 10.0 111.642 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 ttt85 -60.99 -47.94 84.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.192 0.597 . . . . 10.0 111.583 175.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -52.39 -53.55 43.5 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.045 0.938 . . . . 10.0 111.205 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.61 -52.39 62.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.255 0.622 . . . . 10.0 112.173 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.5 tp -52.51 -54.94 25.88 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.822 0.849 . . . . 10.0 111.118 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.75 -44.94 95.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.948 0.499 . . . . 10.0 111.97 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -55.67 -51.3 67.71 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.612 -0.68 . . . . 10.0 111.102 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 51.5 tp -59.7 -51.95 67.57 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.776 0.83 . . . . 10.0 111.556 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -47.57 -55.59 8.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.966 1.307 . . . . 10.0 112.233 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 ttp-105 -63.05 -45.61 91.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.868 0.867 . . . . 10.0 112.296 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.53 -47.41 73.17 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.917 0.887 . . . . 10.0 111.543 173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.67 -44.22 96.72 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.882 -0.511 . . . . 10.0 111.234 173.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.48 -45.21 69.52 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.41 -1.431 . . . . 10.0 111.405 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -59.73 -4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.457 1.651 . . . . 10.0 115.457 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 85.7 m -53.65 -40.17 65.65 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.195 1.361 . . . . 10.0 111.73 161.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -144.86 -37.38 0.29 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.662 0.986 . . . . 10.0 113.662 -172.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.725 1.61 . . . . 10.0 111.754 -175.151 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.285 0.476 . . . . 10.0 112.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -155.2 -174.55 5.02 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.624 1.17 . . . . 10.0 111.873 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -51.82 -46.0 64.14 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.567 1.547 . . . . 10.0 113.932 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -83.38 -45.98 13.08 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.215 1.006 . . . . 10.0 111.656 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 t -105.95 93.91 8.36 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 123.896 0.878 . . . . 10.0 109.603 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.02 160.9 33.24 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 121.972 1.781 . . . . 10.0 113.809 -162.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.64 -46.44 14.95 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 124.013 3.142 . . . . 10.0 112.657 167.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.19 -45.67 72.95 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.271 0.463 . . . . 10.0 113.298 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -66.67 -45.14 79.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.873 -0.781 . . . . 10.0 110.798 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -53.5 -51.08 63.93 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.974 0.892 . . . . 10.0 110.916 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.6 -45.78 91.32 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.165 1.386 . . . . 10.0 111.905 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.23 -55.27 15.98 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.603 0.638 . . . . 10.0 111.098 171.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 25.6 mm -54.93 -51.78 49.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 123.263 0.625 . . . . 10.0 111.503 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -52.39 -46.69 66.36 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.48 0.657 . . . . 10.0 111.977 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 20.4 m -68.34 -33.7 74.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.608 0.763 . . . . 10.0 112.192 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -63.58 -50.23 70.26 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.76 1.224 . . . . 10.0 110.221 173.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -53.06 -50.81 63.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.229 0.611 . . . . 10.0 110.635 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -52.09 -59.93 3.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.969 0.508 . . . . 10.0 111.931 173.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -48.82 -46.54 42.07 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.666 1.186 . . . . 10.0 112.528 179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -81.75 -3.75 54.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.286 1.217 . . . . 10.0 114.286 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 36.7 mm 65.47 -64.22 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.819 1.648 . . . . 10.0 111.679 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.9 tt . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.351 -1.309 . . . . 10.0 111.039 175.192 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 119.242 -0.408 . . . . 10.0 111.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 64.3 mt 55.62 -166.85 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.668 0.988 . . . . 10.0 113.668 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 2.5 m -47.73 -43.86 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 121.094 -1.004 . . . . 10.0 112.527 171.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -48.5 -38.72 20.93 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.716 1.206 . . . . 10.0 113.194 175.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.92 35.1 4.86 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 123.727 0.68 . . . . 10.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 9.3 tt -53.9 -55.19 29.18 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.131 0.972 . . . . 10.0 110.421 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 pt -54.7 -42.34 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 123.41 0.684 . . . . 10.0 111.873 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -63.37 -51.28 66.52 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.009 0.524 . . . . 10.0 111.514 176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 -44.7 80.39 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -66.97 -44.84 79.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.261 1.424 . . . . 10.0 112.906 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -59.23 -51.97 67.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.668 0.787 . . . . 10.0 110.576 172.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -55.34 -49.58 71.87 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.019 0.928 . . . . 10.0 112.097 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 35.9 tp -47.0 -56.74 5.92 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.108 0.963 . . . . 10.0 110.895 173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -58.85 -50.43 74.0 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -55.06 -48.47 73.44 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.444 -0.785 . . . . 10.0 112.269 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.23 -51.84 68.09 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.752 0.821 . . . . 10.0 110.764 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.13 -42.67 77.27 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.11 0.564 . . . . 10.0 112.054 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -60.12 -50.56 73.2 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.618 0.645 . . . . 10.0 111.272 173.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -53.98 -51.03 65.19 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.716 -0.615 . . . . 10.0 111.678 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.56 -34.39 77.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.618 0.767 . . . . 10.0 112.688 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.43 -45.2 95.3 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 120.857 -1.152 . . . . 10.0 110.943 172.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -67.79 -40.87 83.9 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.927 0.714 . . . . 10.0 112.927 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 t -38.94 -56.34 1.41 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.746 1.618 . . . . 10.0 113.659 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt 25.45 68.35 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 127.021 2.128 . . . . 10.0 115.442 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 88.6 t . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.02 -1.467 . . . . 10.0 111.454 176.136 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 112.125 0.417 . . . . 10.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -78.64 57.18 1.98 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.701 0.8 . . . . 10.0 112.98 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -22.67 67.02 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.22 -0.925 . . . . 10.0 112.05 167.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 65.25 -77.86 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.726 1.61 . . . . 10.0 114.084 166.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 m -47.36 105.11 0.45 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 126.331 1.852 . . . . 10.0 114.57 -169.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -76.97 149.32 28.8 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 121.537 1.492 . . . . 10.0 109.341 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -56.9 -32.65 93.0 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.503 2.136 . . . . 10.0 111.394 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.5 -39.02 5.57 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.885 1.231 . . . . 10.0 114.022 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.14 -55.72 25.95 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.963 1.382 . . . . 10.0 111.001 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -54.03 -48.13 70.83 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.463 0.705 . . . . 10.0 111.279 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.24 -49.11 77.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.621 0.768 . . . . 10.0 112.226 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.05 -54.33 36.99 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.295 1.038 . . . . 10.0 110.831 174.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.23 -51.23 71.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.638 0.654 . . . . 10.0 112.015 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -52.83 -45.01 67.13 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.175 -0.953 . . . . 10.0 111.485 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -61.98 -36.59 81.92 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.391 -0.818 . . . . 10.0 112.166 174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.57 -38.73 81.9 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.082 -1.011 . . . . 10.0 111.838 172.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.8 mtt-85 -61.38 -50.58 72.32 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.831 -0.543 . . . . 10.0 110.997 169.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.95 -34.97 68.58 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.106 0.78 . . . . 10.0 113.106 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.56 5.78 1.3 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.23 1.412 . . . . 10.0 113.224 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt 70.32 23.18 5.11 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.962 1.305 . . . . 10.0 112.309 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.8 mm -89.05 -42.17 14.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.241 0.616 . . . . 10.0 111.335 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.155 -1.402 . . . . 10.0 110.034 176.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.6 m120 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 112.261 0.467 . . . . 10.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 94.0 mt 17.19 -92.2 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 128.621 2.768 . . . . 10.0 115.451 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -49.34 -40.67 14.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.327 1.051 . . . . 10.0 113.114 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 87.6 p -87.39 -44.67 11.19 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.427 1.091 . . . . 10.0 111.145 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.34 70.14 1.63 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 123.983 0.802 . . . . 10.0 112.49 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -52.73 3.52 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.394 1.078 . . . . 10.0 112.462 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 pt -59.26 -39.52 79.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.612 0.765 . . . . 10.0 112.98 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -67.12 -51.27 56.16 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.842 0.857 . . . . 10.0 109.947 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.12 -50.87 63.61 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.976 0.51 . . . . 10.0 111.736 173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -63.99 -43.42 95.75 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.141 0.577 . . . . 10.0 112.271 -178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -57.9 -53.23 60.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.655 0.661 . . . . 10.0 111.433 173.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -52.82 -57.42 10.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 122.676 0.39 . . . . 10.0 111.352 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -48.61 -55.22 11.82 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.284 1.434 . . . . 10.0 110.837 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -53.95 -54.9 32.46 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.939 0.896 . . . . 10.0 112.103 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -62.71 -42.28 99.57 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.401 -0.812 . . . . 10.0 112.535 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.74 -54.3 48.4 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.498 -0.751 . . . . 10.0 110.34 174.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.69 -42.29 71.26 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.822 1.249 . . . . 10.0 112.477 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -59.93 -48.5 81.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.394 1.077 . . . . 10.0 111.136 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.72 -47.88 81.17 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.688 -0.633 . . . . 10.0 111.616 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -59.89 -36.08 76.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.517 -0.739 . . . . 10.0 112.697 175.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -62.37 -54.17 44.31 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.922 -1.111 . . . . 10.0 110.3 171.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -37.78 64.19 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.532 0.733 . . . . 10.0 112.541 177.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 16.2 t -55.71 -30.56 61.35 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.067 1.347 . . . . 10.0 113.469 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -75.17 66.42 1.68 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.09 0.947 . . . . 10.0 111.033 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.251 1.15 0 CA-C-O 116.796 -1.573 . . . . 10.0 112.072 175.376 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -35.46 -47.67 0.45 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.576 2.35 . . . . 10.0 114.421 -171.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 87.3 mmt-85 -130.95 63.29 1.6 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.286 1.434 . . . . 10.0 109.777 173.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -69.92 50.62 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 10.0 114.025 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER 179.55 115.05 0.2 Allowed Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 127.448 2.299 . . . . 10.0 108.173 -175.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -78.29 142.75 19.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.814 1.676 . . . . 10.0 110.923 -174.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.25 -39.82 21.42 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 123.33 2.686 . . . . 10.0 112.566 166.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.53 -35.54 16.12 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.333 0.968 . . . . 10.0 113.998 172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -66.31 -51.87 52.94 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.292 1.546 . . . . 10.0 110.773 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 24.4 m -53.02 -46.65 68.52 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 122.055 -0.403 . . . . 10.0 111.267 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.1 79.03 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.385 0.674 . . . . 10.0 112.354 175.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -53.74 -54.29 40.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.164 0.986 . . . . 10.0 110.981 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 29.0 mm -54.01 -54.94 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.386 0.675 . . . . 10.0 111.423 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -52.97 -51.84 60.15 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.636 -0.665 . . . . 10.0 111.877 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 60.2 p -64.92 -31.99 73.49 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.805 0.669 . . . . 10.0 112.805 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.34 -52.35 63.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.202 -0.937 . . . . 10.0 110.343 170.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -53.54 -47.76 69.71 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 122.641 0.376 . . . . 10.0 111.511 174.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -51.05 -60.26 3.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.223 0.465 . . . . 10.0 111.457 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 20.3 t -55.92 -43.23 77.15 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.664 -0.648 . . . . 10.0 112.268 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -85.48 11.87 9.63 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.287 0.847 . . . . 10.0 113.287 176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 68.48 -60.14 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.629 1.972 . . . . 10.0 112.785 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 117.177 -1.392 . . . . 10.0 110.453 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp 62.77 155.8 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.515 1.526 . . . . 10.0 111.283 -166.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.18 -50.26 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.612 -1.305 . . . . 10.0 112.314 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 24.0 p -55.75 -63.42 1.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.39 1.476 . . . . 10.0 111.584 176.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.03 -45.91 50.73 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.145 0.878 . . . . 10.0 112.452 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.7 tp -56.54 -60.61 3.29 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.049 0.925 . . . . 10.0 112.364 175.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.5 pt -61.52 -41.07 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 121.55 -0.719 . . . . 10.0 111.761 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -56.73 -51.01 70.48 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.956 -0.465 . . . . 10.0 111.422 173.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.99 -46.21 85.56 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.356 0.663 . . . . 10.0 112.107 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 54.4 mmt-85 -56.34 -51.4 68.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.315 0.507 . . . . 10.0 112.101 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -57.63 -50.1 74.26 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.52 -0.737 . . . . 10.0 111.794 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -53.87 -56.77 14.66 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.022 1.329 . . . . 10.0 111.119 175.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.1 tp -48.47 -57.26 6.38 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.347 1.459 . . . . 10.0 111.809 175.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -68.53 -36.42 78.82 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -59.61 -49.7 76.76 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.195 0.907 . . . . 10.0 111.513 170.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.25 -54.27 48.83 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.798 -0.564 . . . . 10.0 111.613 175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -45.77 -52.52 11.0 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 111.543 172.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 37.0 ttt85 -55.79 -51.08 68.66 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.626 -0.671 . . . . 10.0 112.222 175.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -53.22 -51.36 62.4 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.578 -0.701 . . . . 10.0 111.695 178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.73 -37.55 86.99 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.553 0.575 . . . . 10.0 112.553 175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -62.16 -39.66 93.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.937 -1.102 . . . . 10.0 111.995 174.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -72.28 -48.41 42.63 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.428 0.691 . . . . 10.0 112.525 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.1 p -69.01 153.98 42.86 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 -171.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -157.34 128.38 6.7 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.718 0.807 . . . . 10.0 111.016 169.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.143 -1.408 . . . . 10.0 110.969 176.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.66 73.81 3.34 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.292 -0.88 . . . . 10.0 111.008 -177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.5 ptt-85 -127.06 136.8 52.68 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.634 1.174 . . . . 10.0 113.46 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -123.38 -119.94 0.28 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.692 1.997 . . . . 10.0 107.881 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -170.73 99.45 0.43 Allowed Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.486 1.514 . . . . 10.0 108.745 170.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -77.51 155.46 31.89 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 121.67 1.58 . . . . 10.0 111.758 -169.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -45.05 -32.81 7.07 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 124.709 3.606 . . . . 10.0 114.651 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.12 -39.5 5.31 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.148 0.88 . . . . 10.0 113.435 170.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -61.52 -52.87 62.67 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.154 0.977 . . . . 10.0 111.881 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.3 -47.64 75.29 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.434 -0.791 . . . . 10.0 111.407 176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.79 -39.82 95.4 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 10.0 112.531 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.14 -54.99 38.47 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.407 -0.808 . . . . 10.0 110.845 168.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 mm -56.88 -43.66 80.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 O-C-N 121.606 -0.684 . . . . 10.0 111.772 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -57.17 -55.68 31.55 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.404 -0.81 . . . . 10.0 111.7 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 p -60.63 -38.68 85.58 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.463 -0.773 . . . . 10.0 112.611 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.1 -50.51 73.21 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.542 -0.724 . . . . 10.0 111.424 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.36 77.6 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.252 0.621 . . . . 10.0 111.766 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -59.71 -57.49 12.71 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.488 -0.758 . . . . 10.0 111.375 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.6 -43.34 25.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.141 1.376 . . . . 10.0 112.788 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -69.66 -8.64 49.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.908 1.683 . . . . 10.0 113.825 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.52 -55.39 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 126.507 1.923 . . . . 10.0 111.903 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.9 pt . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.544 1.138 . . . . 10.0 111.98 171.586 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt 46.51 -114.27 0.5 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.879 1.272 . . . . 10.0 112.397 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.96 -54.29 10.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 124.192 0.997 . . . . 10.0 112.075 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -69.65 87.24 0.49 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.358 1.463 . . . . 10.0 109.566 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.39 -63.63 0.52 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.575 1.559 . . . . 10.0 109.259 -168.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.55 -56.74 13.18 Favored 'General case' 0 C--O 1.227 -0.099 0 C-N-CA 124.269 1.027 . . . . 10.0 111.906 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 pt -60.34 -41.41 87.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 118.944 0.793 . . . . 10.0 111.655 -173.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -60.16 -56.83 16.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.108 0.963 . . . . 10.0 111.227 175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -45.48 93.82 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.858 -0.526 . . . . 10.0 112.133 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -57.05 -52.28 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.916 1.286 . . . . 10.0 111.464 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -57.12 -46.55 82.56 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.552 0.741 . . . . 10.0 111.467 177.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -56.19 -59.27 5.17 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 122.825 0.45 . . . . 10.0 111.592 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -50.71 -51.49 49.21 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.107 0.563 . . . . 10.0 111.607 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -51.88 -57.6 8.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.029 1.332 . . . . 10.0 111.763 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -62.04 -45.97 91.19 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.603 -0.685 . . . . 10.0 112.201 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -49.91 74.6 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.331 0.586 . . . . 10.0 110.749 177.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.86 -47.92 81.32 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.56 0.744 . . . . 10.0 112.208 174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -55.6 -47.51 76.39 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 123.591 0.756 . . . . 10.0 111.482 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.77 -52.77 62.8 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.755 0.707 . . . . 10.0 111.499 174.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -61.3 -32.1 71.94 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.36 -52.32 41.55 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.3 -0.875 . . . . 10.0 111.102 169.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.42 -33.05 63.21 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.328 1.451 . . . . 10.0 112.269 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 46.2 t -45.9 -40.27 9.85 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.894 0.701 . . . . 10.0 112.894 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 59.96 -47.09 0.09 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 129.551 3.141 . . . . 10.0 118.304 169.002 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.342 -1.313 . . . . 10.0 112.637 -178.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . 0.254 0.3 OUTLIER . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -62.12 110.25 1.54 Allowed 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.268 -1.52 . . . . 10.0 111.52 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -129.52 136.81 50.31 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.48 1.912 . . . . 10.0 108.771 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 58.96 -65.39 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.057 1.743 . . . . 10.0 112.534 -162.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 48.4 t -79.73 116.97 64.81 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 126.061 1.744 . . . . 10.0 110.423 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.64 158.0 28.37 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.31 2.674 . . . . 10.0 112.058 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -59.95 -32.37 94.98 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.792 2.328 . . . . 10.0 110.529 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.05 -38.89 3.61 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.844 1.212 . . . . 10.0 113.544 167.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.23 -57.29 10.96 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.045 1.422 . . . . 10.0 111.45 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 13.5 m -54.6 -47.53 73.28 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.533 0.733 . . . . 10.0 111.321 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.85 85.3 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.942 0.897 . . . . 10.0 111.868 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tt -55.1 -53.58 54.11 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.543 0.737 . . . . 10.0 110.973 173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 32.0 mm -55.45 -50.69 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.428 1.013 . . . . 10.0 111.948 177.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -52.48 -46.49 66.59 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.449 0.642 . . . . 10.0 111.568 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 35.0 m -66.62 -31.91 72.9 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.536 0.734 . . . . 10.0 112.342 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.22 -48.1 71.67 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.446 1.099 . . . . 10.0 110.028 174.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -52.48 -51.92 56.96 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.006 0.522 . . . . 10.0 110.289 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -56.2 16.92 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.816 -0.553 . . . . 10.0 112.256 175.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -46.44 -53.16 11.65 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.822 1.249 . . . . 10.0 112.258 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -70.0 -14.4 62.68 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.075 1.35 . . . . 10.0 113.274 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm 68.35 -61.46 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.651 1.981 . . . . 10.0 110.84 -170.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.186 -1.388 . . . . 10.0 110.331 174.573 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.195 0.045 . . . . 10.0 111.112 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 mt 69.85 -58.75 0.52 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.686 1.594 . . . . 10.0 112.328 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.31 -41.73 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.471 0.709 . . . . 10.0 111.666 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 31.3 p -51.42 -60.55 3.01 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.879 1.272 . . . . 10.0 111.217 171.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.83 -52.78 11.05 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.785 1.184 . . . . 10.0 112.384 173.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.49 -59.96 3.99 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.913 0.885 . . . . 10.0 112.142 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.2 pt -62.06 -40.11 86.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.464 -0.772 . . . . 10.0 112.112 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -59.32 -53.82 53.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.195 0.598 . . . . 10.0 111.589 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.39 93.38 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.949 0.899 . . . . 10.0 112.079 178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -59.97 -50.35 74.08 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.878 -0.514 . . . . 10.0 111.693 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.36 -49.5 69.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.923 0.783 . . . . 10.0 111.719 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -53.34 -55.69 22.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.835 1.254 . . . . 10.0 112.096 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tt -51.51 -55.05 21.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.414 1.085 . . . . 10.0 111.311 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -52.41 -53.57 43.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.604 1.162 . . . . 10.0 111.852 176.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -55.93 -49.01 74.66 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.699 -0.626 . . . . 10.0 111.762 179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -55.27 -55.58 29.74 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.827 0.285 . . . . 10.0 111.081 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -52.93 -43.55 66.35 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.836 0.855 . . . . 10.0 112.511 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -66.66 -47.92 70.99 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.088 0.955 . . . . 10.0 111.718 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.39 -48.78 73.83 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.627 -0.671 . . . . 10.0 111.144 174.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -60.42 -38.91 85.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.533 0.733 . . . . 10.0 112.019 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -61.65 -39.15 90.32 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 121.096 -1.002 . . . . 10.0 111.972 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -41.36 86.94 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.913 -0.492 . . . . 10.0 111.905 173.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -61.81 145.14 53.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.168 0.987 . . . . 10.0 112.933 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.78 68.4 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.225 1.01 . . . . 10.0 110.761 173.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 116.941 -1.504 . . . . 10.0 111.662 -176.42 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 111.994 0.368 . . . . 10.0 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -73.14 67.03 0.89 Allowed 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 122.226 1.012 . . . . 10.0 112.377 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -78.36 58.91 2.23 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.564 1.546 . . . . 10.0 111.67 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -87.4 102.5 14.6 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.815 1.246 . . . . 10.0 110.179 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.1 t -44.37 115.44 2.26 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.745 1.218 . . . . 10.0 112.166 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.68 148.02 20.0 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 122.377 2.052 . . . . 10.0 111.396 -171.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -44.19 -41.45 13.03 Favored 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.714 2.942 . . . . 10.0 113.429 171.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.03 -39.52 26.4 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.878 1.227 . . . . 10.0 114.033 174.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -62.96 -55.05 29.2 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.547 1.173 . . . . 10.0 110.614 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.7 m -55.04 -46.68 75.34 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.75 -0.594 . . . . 10.0 110.894 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.44 76.58 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.382 1.073 . . . . 10.0 112.496 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.46 -55.79 14.36 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.867 0.867 . . . . 10.0 110.644 172.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -60.72 -45.25 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 112.29 0.478 . . . . 10.0 112.29 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -53.47 -48.89 68.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.038 0.836 . . . . 10.0 111.355 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.533 0.733 . . . . 10.0 111.869 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -56.99 -54.21 49.3 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 124.083 0.953 . . . . 10.0 110.468 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.9 ttm105 -53.23 -49.44 66.82 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.794 0.837 . . . . 10.0 111.121 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -51.86 -58.34 6.74 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.888 -0.507 . . . . 10.0 111.673 173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.9 t -59.98 -44.52 94.42 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.994 0.738 . . . . 10.0 112.994 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.25 -11.6 59.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.335 1.054 . . . . 10.0 113.479 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.1 mm 69.06 -60.59 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 126.305 1.842 . . . . 10.0 111.107 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.964 -1.017 . . . . 10.0 111.868 175.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 tt 68.19 -62.42 0.36 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.03 1.332 . . . . 10.0 111.551 -169.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 22.6 t -65.67 80.02 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.985 1.314 . . . . 10.0 111.908 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.3 m 110.21 -17.1 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 130.008 3.323 . . . . 10.0 113.351 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.26 75.03 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 C-N-CA 124.594 1.093 . . . . 10.0 110.667 169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -30.55 -61.15 0.18 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 127.473 2.309 . . . . 10.0 113.772 -173.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 pt -58.0 -42.1 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 113.103 0.779 . . . . 10.0 113.103 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.38 -48.99 73.37 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.552 0.741 . . . . 10.0 110.148 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 -52.21 64.08 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.092 0.557 . . . . 10.0 111.758 176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -57.23 -53.69 55.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.694 0.798 . . . . 10.0 111.815 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -59.67 -44.68 93.5 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.947 -0.471 . . . . 10.0 111.713 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.42 -52.22 66.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.337 0.655 . . . . 10.0 111.576 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.9 -53.97 41.57 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.283 0.633 . . . . 10.0 110.959 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -50.96 -59.27 4.32 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.378 1.071 . . . . 10.0 111.848 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -61.23 -42.05 97.94 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.933 0.493 . . . . 10.0 111.902 -176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -60.13 -52.83 63.67 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 10.0 110.572 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -54.08 -44.0 70.79 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.58 -0.7 . . . . 10.0 112.13 174.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 ttp85 -58.72 -49.12 78.78 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.474 0.71 . . . . 10.0 111.319 175.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -56.78 -52.77 63.73 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.787 -0.571 . . . . 10.0 111.691 176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.52 -39.8 85.07 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.664 -0.647 . . . . 10.0 112.026 177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -63.74 -35.86 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.42 -0.8 . . . . 10.0 112.339 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -66.42 -41.17 89.62 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.967 -0.54 . . . . 10.0 112.052 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.265 19.2 p -73.66 65.44 0.98 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.91 1.338 . . . . 10.0 112.019 171.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -77.55 59.34 1.91 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.453 1.501 . . . . 10.0 112.721 -170.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 37.5 t . . . . . 0 C--O 1.253 1.278 0 CA-C-O 117.173 -1.394 . . . . 10.0 110.789 174.247 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.84 59.71 1.31 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.183 0.993 . . . . 10.0 111.26 -174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.3 -59.61 3.07 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.444 0.905 . . . . 10.0 113.444 -170.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.68 -65.82 0.14 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.783 1.233 . . . . 10.0 113.342 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 p -69.46 114.79 26.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.444 1.098 . . . . 10.0 112.518 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.67 160.97 31.15 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 122.327 2.018 . . . . 10.0 111.094 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -58.31 -28.77 85.8 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.672 2.248 . . . . 10.0 111.22 170.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.53 -35.98 3.1 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.065 1.316 . . . . 10.0 113.863 166.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.38 -54.31 48.48 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.871 1.335 . . . . 10.0 111.229 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.1 m -58.9 -43.75 91.09 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.77 -0.581 . . . . 10.0 111.299 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.0 86.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 175.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.2 -54.85 38.12 Favored 'General case' 0 C--O 1.222 -0.388 0 O-C-N 121.644 -0.66 . . . . 10.0 110.646 170.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -55.26 -47.0 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 119.435 1.016 . . . . 10.0 112.326 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.37 -53.01 63.02 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.369 -0.832 . . . . 10.0 111.853 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 30.8 p -62.4 -33.06 74.02 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.453 -0.779 . . . . 10.0 113.086 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.96 -54.89 35.43 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.8 1.24 . . . . 10.0 110.446 173.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -49.25 -53.14 23.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.67 0.788 . . . . 10.0 110.665 173.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -60.09 -46.02 90.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.829 0.677 . . . . 10.0 112.829 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.36 -55.33 25.39 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.463 0.705 . . . . 10.0 112.447 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -85.85 -33.6 21.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.18 0.992 . . . . 10.0 113.415 -167.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mm 67.39 -61.61 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.721 1.608 . . . . 10.0 111.375 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 123.96 0.904 . . . . 10.0 111.891 174.452 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 111.656 0.243 . . . . 10.0 111.656 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.6 153.59 19.56 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.875 -0.515 . . . . 10.0 111.899 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 32.8 m -82.91 160.14 3.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.807 0.843 . . . . 10.0 112.526 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 86.9 p -73.3 69.47 1.12 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.924 0.89 . . . . 10.0 112.213 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.66 62.06 1.2 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.132 0.872 . . . . 10.0 111.92 173.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 61.7 tp -43.1 -57.52 2.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.884 1.674 . . . . 10.0 114.007 -165.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -53.79 -42.34 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 112.368 0.507 . . . . 10.0 112.368 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.07 -41.55 67.24 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.913 -0.492 . . . . 10.0 110.875 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.32 -46.59 76.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.627 0.649 . . . . 10.0 111.934 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -60.37 -53.26 59.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.432 0.693 . . . . 10.0 111.893 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -54.46 -46.93 73.41 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.413 -0.804 . . . . 10.0 111.863 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -56.36 -57.24 13.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.735 2.014 . . . . 10.0 111.048 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 29.6 tp -45.34 -58.22 3.47 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.109 0.963 . . . . 10.0 112.079 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.51 -51.77 68.03 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.471 0.545 . . . . 10.0 112.471 -177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -53.47 -53.03 57.23 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.856 -0.527 . . . . 10.0 111.709 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.49 -54.53 45.57 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.392 0.277 . . . . 10.0 111.376 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -52.12 -47.57 65.25 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.831 -0.543 . . . . 10.0 111.905 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -57.48 -55.24 37.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.936 0.494 . . . . 10.0 111.659 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -54.17 -48.79 70.54 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.672 -0.643 . . . . 10.0 111.681 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.71 -46.88 88.72 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.559 0.744 . . . . 10.0 111.213 177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -53.64 -46.04 70.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.068 -1.02 . . . . 10.0 111.712 170.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -60.05 -21.61 61.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.788 0.835 . . . . 10.0 113.229 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 24.0 m -58.72 -37.81 76.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.761 1.164 . . . . 10.0 111.56 169.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm 63.83 -66.2 0.11 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.706 2.002 . . . . 10.0 113.656 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.913 1.685 . . . . 10.0 112.307 179.174 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 112.263 0.468 . . . . 10.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -57.04 -63.14 1.31 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.056 0.942 . . . . 10.0 112.087 177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -84.66 66.08 9.38 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.132 -0.98 . . . . 10.0 111.526 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.88 -69.83 0.05 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.582 1.953 . . . . 10.0 114.637 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -78.05 119.76 78.61 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 121.295 -0.878 . . . . 10.0 109.499 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.48 142.75 11.91 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.331 2.021 . . . . 10.0 110.395 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.46 -34.32 14.36 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.431 2.754 . . . . 10.0 112.951 167.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.13 -39.52 3.98 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.9 1.238 . . . . 10.0 114.127 169.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -62.27 -53.95 47.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.688 1.244 . . . . 10.0 111.32 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 m -55.73 -46.51 77.76 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.281 0.632 . . . . 10.0 111.385 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.23 98.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.938 0.895 . . . . 10.0 112.491 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.07 -55.73 27.74 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.774 0.83 . . . . 10.0 110.607 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.8 mm -52.41 -50.3 39.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.396 0.678 . . . . 10.0 111.477 177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.89 -55.85 29.54 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.801 -0.562 . . . . 10.0 112.055 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 p -59.27 -40.53 86.34 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.444 -0.785 . . . . 10.0 112.866 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.82 -59.39 4.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.57 0.748 . . . . 10.0 110.968 169.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -43.21 61.69 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.858 0.863 . . . . 10.0 112.161 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.39 -54.39 29.39 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.685 -0.634 . . . . 10.0 111.294 176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.15 -43.33 64.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.366 0.667 . . . . 10.0 112.57 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -73.8 -2.79 25.01 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.99 1.107 . . . . 10.0 113.99 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.06 -55.55 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 126.162 1.785 . . . . 10.0 112.941 176.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.831 1.252 . . . . 10.0 110.915 176.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.749 0.278 . . . . 10.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.34 73.63 1.34 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.868 0.867 . . . . 10.0 111.634 -174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 44.9 t 64.8 -70.25 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 126.945 2.098 . . . . 10.0 112.01 176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 52.6 p -32.58 -68.87 0.09 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 127.086 2.154 . . . . 10.0 112.905 170.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -54.2 -35.65 55.44 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.369 0.985 . . . . 10.0 113.73 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.9 tp -71.02 -53.8 13.47 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.314 1.057 . . . . 10.0 110.854 -179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 pt -59.88 -40.79 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 121.634 -0.666 . . . . 10.0 111.051 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -54.69 -54.24 44.41 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.216 0.607 . . . . 10.0 111.207 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.01 76.89 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.277 0.631 . . . . 10.0 112.606 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.61 -51.16 66.46 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.966 0.907 . . . . 10.0 111.582 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -57.8 -48.58 79.31 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.411 -0.805 . . . . 10.0 111.415 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.64 -48.85 74.29 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.449 1.1 . . . . 10.0 112.067 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 31.2 tp -50.29 -55.87 13.62 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.062 0.945 . . . . 10.0 110.94 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.34 -58.53 6.39 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 176.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -52.91 -53.76 44.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.245 1.018 . . . . 10.0 111.96 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -59.69 -49.94 75.77 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.096 0.958 . . . . 10.0 111.399 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.51 -48.35 72.02 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.745 -0.597 . . . . 10.0 111.923 175.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.04 -45.61 94.09 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.44 0.696 . . . . 10.0 111.58 177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -56.38 -48.54 76.66 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.729 -0.607 . . . . 10.0 111.626 173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.11 -44.02 97.99 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.633 -0.667 . . . . 10.0 111.926 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -56.83 -47.02 81.28 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.186 -0.946 . . . . 10.0 111.453 170.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -40.83 79.13 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.625 -0.672 . . . . 10.0 111.559 177.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . 0.262 1.4 p -69.43 -32.7 71.83 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.631 0.651 . . . . 10.0 112.362 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -69.82 71.92 0.37 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.37 1.081 . . . . 10.0 111.272 161.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.787 -1.578 . . . . 10.0 112.541 173.11 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.928 0.394 . . . . 10.0 111.757 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 142.88 47.87 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.577 0.751 . . . . 10.0 111.905 175.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -44.18 109.23 0.14 Allowed 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 116.237 1.94 . . . . 10.0 116.237 -169.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.44 33.39 0.08 Allowed 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 115.508 1.669 . . . . 10.0 115.508 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -177.67 104.08 0.22 Allowed Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 127.091 2.156 . . . . 10.0 109.264 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -78.4 157.9 29.24 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.204 1.936 . . . . 10.0 111.494 -174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -51.27 -34.3 48.76 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 123.771 2.981 . . . . 10.0 113.211 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.17 -39.31 3.94 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.691 1.139 . . . . 10.0 113.615 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.15 -56.91 15.83 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.543 1.172 . . . . 10.0 111.481 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 14.0 m -53.61 -46.22 70.33 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.601 0.76 . . . . 10.0 111.361 176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.82 95.66 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.459 0.704 . . . . 10.0 112.373 176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.08 -56.46 19.55 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.719 -0.613 . . . . 10.0 110.557 171.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 mm -55.59 -46.86 79.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 118.907 0.776 . . . . 10.0 111.819 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.52 -50.88 71.63 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.616 -0.677 . . . . 10.0 111.859 177.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.3 p -64.61 -34.18 77.66 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.281 0.845 . . . . 10.0 113.281 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -57.06 14.72 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.122 0.969 . . . . 10.0 109.888 171.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -49.94 -52.0 36.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.378 1.071 . . . . 10.0 110.617 174.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -56.58 -55.43 33.96 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.81 -0.556 . . . . 10.0 112.147 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 42.9 t -51.27 -46.48 62.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.831 0.853 . . . . 10.0 111.918 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -73.63 -6.12 44.69 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.574 1.549 . . . . 10.0 113.348 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 17.8 mm 68.63 -63.82 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.032 1.733 . . . . 10.0 111.275 -171.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.707 -1.616 . . . . 10.0 112.245 178.61 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.793 0.33 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 85.4 mt -123.76 170.26 10.7 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.114 1.766 . . . . 10.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.13 -44.42 83.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 O-C-N 121.44 -0.788 . . . . 10.0 112.249 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.4 p -55.29 -63.11 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.251 1.421 . . . . 10.0 111.204 173.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.75 -50.8 14.0 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.652 1.12 . . . . 10.0 112.299 175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 22.0 tp -50.75 -64.04 0.93 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.953 0.901 . . . . 10.0 112.082 171.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 40.6 pt -57.64 -43.93 84.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 120.203 1.365 . . . . 10.0 112.436 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.61 -49.89 73.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.551 -0.718 . . . . 10.0 112.111 177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.68 -38.53 85.25 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.583 -0.698 . . . . 10.0 112.163 177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -43.03 93.98 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.542 1.537 . . . . 10.0 112.122 174.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -59.37 -53.44 58.13 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.253 -0.904 . . . . 10.0 110.617 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -53.79 -52.73 59.36 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.46 0.704 . . . . 10.0 112.245 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.44 -60.45 2.67 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.928 1.691 . . . . 10.0 111.163 175.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.09 -48.68 79.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.849 0.314 . . . . 10.0 111.849 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -56.84 -50.15 73.28 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.106 0.563 . . . . 10.0 112.088 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.5 tp -64.25 -50.31 68.48 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.484 0.714 . . . . 10.0 111.154 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -49.94 -49.44 50.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.251 0.62 . . . . 10.0 111.892 172.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -41.32 97.47 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.143 1.377 . . . . 10.0 112.518 177.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -61.32 -50.96 70.85 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.188 -0.945 . . . . 10.0 111.563 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 mt -58.86 -44.76 91.11 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.834 -0.541 . . . . 10.0 111.683 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -50.8 -42.06 57.83 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.232 -0.917 . . . . 10.0 111.43 170.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -14.61 14.13 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.69 1.367 . . . . 10.0 114.69 176.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 36.1 m -64.42 -32.86 74.66 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.113 1.324 . . . . 10.0 111.125 169.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 64.59 -65.21 0.14 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.878 2.071 . . . . 10.0 114.216 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.548 1.539 . . . . 10.0 111.688 179.581 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 112.627 0.603 . . . . 10.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -68.97 89.91 0.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 112.973 -171.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 mmt-85 -68.53 66.69 0.12 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.761 1.225 . . . . 10.0 113.695 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -87.81 -123.22 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.804 1.242 . . . . 10.0 110.474 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -168.99 133.17 1.27 Allowed Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.371 1.069 . . . . 10.0 109.309 -173.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -88.18 146.19 6.36 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.572 2.181 . . . . 10.0 110.642 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -50.12 -37.5 48.32 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 122.963 2.442 . . . . 10.0 112.086 169.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.16 -36.0 3.86 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.347 1.451 . . . . 10.0 114.238 170.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -64.58 -53.75 42.95 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.03 1.415 . . . . 10.0 111.35 175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 m -55.51 -44.36 76.55 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.843 -0.536 . . . . 10.0 111.322 174.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.27 -48.48 81.48 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.22 -58.33 6.96 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.46 1.104 . . . . 10.0 110.452 173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -56.27 -41.62 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 123.262 0.625 . . . . 10.0 112.23 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.17 -53.86 52.02 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.46 -0.775 . . . . 10.0 111.317 173.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 p -60.15 -37.85 81.38 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.471 -0.768 . . . . 10.0 112.925 176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.42 -56.25 24.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.892 0.877 . . . . 10.0 110.27 173.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -53.55 -52.39 59.84 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.138 0.975 . . . . 10.0 111.583 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -56.67 -48.16 78.22 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 51.6 t -62.56 -53.51 53.64 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.624 0.602 . . . . 10.0 112.624 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -81.38 -33.14 32.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.143 0.977 . . . . 10.0 113.276 -170.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.5 mm 67.91 -62.86 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.456 1.902 . . . . 10.0 111.724 -172.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 125.117 1.367 . . . . 10.0 111.174 179.487 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 33.8 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 113.994 1.109 . . . . 10.0 113.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.4 mt -36.39 -45.54 0.49 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.328 1.851 . . . . 10.0 115.317 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -70.03 -25.9 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 N-CA-C 114.482 1.29 . . . . 10.0 114.482 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 65.6 p -40.76 -70.35 0.11 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.966 1.706 . . . . 10.0 114.198 -170.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.82 -55.92 7.92 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.504 1.049 . . . . 10.0 111.955 177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.5 tp -52.01 -57.25 10.04 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.051 0.94 . . . . 10.0 112.324 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -63.07 -42.03 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 119.05 0.841 . . . . 10.0 112.09 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -59.13 -54.94 41.33 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.52 0.676 . . . . 10.0 111.503 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.83 82.74 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.137 0.975 . . . . 10.0 111.817 177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -63.97 -45.62 88.3 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.816 0.847 . . . . 10.0 112.122 176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -54.76 -51.64 65.04 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.379 -0.825 . . . . 10.0 111.113 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -54.06 -54.62 36.8 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.323 0.49 . . . . 10.0 112.323 174.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 14.9 tp -49.0 -59.0 3.98 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.544 1.538 . . . . 10.0 111.578 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.251 0.62 . . . . 10.0 111.927 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -56.14 -53.84 52.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.797 0.726 . . . . 10.0 111.354 171.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.99 -52.45 64.15 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.877 0.871 . . . . 10.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -51.91 -48.66 64.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.859 0.864 . . . . 10.0 112.598 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -40.04 90.98 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.526 1.13 . . . . 10.0 112.598 177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -65.52 -47.38 76.15 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.17 -0.956 . . . . 10.0 110.62 175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 91.9 mt -57.06 -46.86 82.13 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.715 -0.615 . . . . 10.0 111.823 172.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -50.64 -42.3 56.21 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.241 -0.912 . . . . 10.0 111.542 174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -23.12 14.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.507 1.299 . . . . 10.0 114.507 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 25.8 t -63.67 -25.32 68.16 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.164 0.986 . . . . 10.0 112.132 174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 71.75 -54.64 0.67 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.377 1.871 . . . . 10.0 114.289 170.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.16 -1.4 . . . . 10.0 111.777 175.005 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 112.587 0.588 . . . . 10.0 112.587 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -67.99 -28.64 67.6 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.248 1.419 . . . . 10.0 113.051 176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 52.81 -113.08 0.74 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.078 0.951 . . . . 10.0 112.096 164.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -56.43 -26.39 53.45 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.576 1.08 . . . . 10.0 113.597 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 41.2 t -87.73 108.41 20.44 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 119.215 0.916 . . . . 10.0 109.522 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.53 152.46 33.83 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.48 2.12 . . . . 10.0 111.551 -170.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -46.57 -40.67 23.75 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 123.473 2.782 . . . . 10.0 112.868 170.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.21 -38.18 18.54 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.434 1.016 . . . . 10.0 113.818 173.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -65.34 -52.26 55.06 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.575 1.188 . . . . 10.0 111.056 175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.7 m -52.35 -46.44 66.11 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 121.742 -0.599 . . . . 10.0 111.231 174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.42 98.85 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.023 0.929 . . . . 10.0 112.605 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.64 -55.52 28.66 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.809 0.844 . . . . 10.0 110.964 171.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -58.49 -44.49 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 123.457 0.703 . . . . 10.0 111.6 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -56.18 -52.08 65.68 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.238 -0.914 . . . . 10.0 112.39 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 16.1 p -63.99 -40.84 97.28 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.024 0.75 . . . . 10.0 113.024 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.8 tt -52.5 -57.39 10.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.325 0.65 . . . . 10.0 110.789 169.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -53.31 -44.77 68.62 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.239 0.459 . . . . 10.0 112.239 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -58.55 -49.99 75.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.091 0.556 . . . . 10.0 111.831 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -58.74 -44.42 90.49 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.634 -0.666 . . . . 10.0 111.985 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.73 -1.74 7.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.459 1.103 . . . . 10.0 113.207 173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 mm 69.27 -59.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.385 1.874 . . . . 10.0 111.466 -171.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 pt . . . . . 0 C--O 1.252 1.185 0 CA-C-O 117.031 -1.461 . . . . 10.0 111.877 175.55 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 15.7 t30 . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 mt 62.99 -66.76 0.09 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.564 1.546 . . . . 10.0 113.179 -167.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -52.74 -43.85 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.73 1.212 . . . . 10.0 113.251 -171.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m 72.85 -46.72 0.66 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.446 1.499 . . . . 10.0 114.686 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.86 55.77 1.37 Allowed Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.311 -0.868 . . . . 10.0 112.529 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.33 -50.01 72.7 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.68 1.192 . . . . 10.0 112.157 -169.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -45.96 84.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.82 -49.94 74.3 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.795 0.838 . . . . 10.0 110.632 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -50.86 68.38 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.393 0.677 . . . . 10.0 111.993 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -50.77 69.43 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.898 1.279 . . . . 10.0 111.258 176.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -53.82 -57.61 10.26 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.122 -0.361 . . . . 10.0 111.566 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -41.95 99.34 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 118.937 0.79 . . . . 10.0 112.343 -178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 48.6 tp -50.98 -61.36 2.27 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.419 1.088 . . . . 10.0 111.441 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.12 -41.83 97.09 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 122.968 0.507 . . . . 10.0 111.98 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.07 -51.83 67.71 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.636 -0.665 . . . . 10.0 111.147 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.5 -46.18 89.64 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.356 0.663 . . . . 10.0 111.422 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -52.79 -51.25 61.49 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.143 0.977 . . . . 10.0 112.073 170.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -45.08 71.71 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.475 1.11 . . . . 10.0 112.124 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -63.05 -47.26 83.76 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.235 -0.915 . . . . 10.0 112.211 172.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.5 mt -63.56 -23.93 67.6 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.264 0.838 . . . . 10.0 113.264 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -70.0 -60.59 2.2 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.879 . . . . 10.0 110.324 165.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.38 -34.44 47.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.41 1.084 . . . . 10.0 113.014 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -40.54 -40.41 1.24 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.154 2.181 . . . . 10.0 112.561 170.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -74.08 67.32 1.3 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.784 0.802 . . . . 10.0 111.036 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 117.994 -1.003 . . . . 10.0 112.48 178.424 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.52 0.193 . . . . 10.0 111.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 50.94 -73.88 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.444 2.298 . . . . 10.0 115.149 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -121.09 33.51 5.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.437 1.095 . . . . 10.0 112.131 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 70.81 -60.78 0.5 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.545 2.338 . . . . 10.0 114.014 173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 p -174.43 125.8 0.41 Allowed Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.249 1.82 . . . . 10.0 109.384 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -82.89 158.93 15.91 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.709 2.272 . . . . 10.0 111.762 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.65 -37.84 16.19 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 124.217 3.278 . . . . 10.0 113.158 171.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -41.13 -39.3 2.07 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.403 1.478 . . . . 10.0 114.139 172.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -62.37 -57.06 12.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.478 1.139 . . . . 10.0 111.683 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.7 m -56.66 -45.31 81.73 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.519 -0.738 . . . . 10.0 111.271 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -50.58 73.13 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 10.0 112.067 175.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.35 -58.47 5.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.54 0.736 . . . . 10.0 110.789 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -63.48 -37.58 79.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 118.53 0.604 . . . . 10.0 112.373 -175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -56.08 -49.47 73.71 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 120.957 -1.089 . . . . 10.0 111.279 168.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -62.94 -36.9 84.96 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.816 -0.552 . . . . 10.0 111.951 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.87 -56.84 16.77 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.582 1.153 . . . . 10.0 110.097 173.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -51.29 -46.79 62.63 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.984 0.514 . . . . 10.0 111.53 175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -57.41 -56.33 23.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.22 0.452 . . . . 10.0 112.22 174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.25 -43.25 53.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.628 1.171 . . . . 10.0 112.757 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -86.04 7.73 23.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.303 1.041 . . . . 10.0 112.892 177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.6 mm 67.57 -59.11 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.586 1.955 . . . . 10.0 112.261 -174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.6 pt . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.585 1.154 . . . . 10.0 111.425 173.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.24 0.459 . . . . 10.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 54.4 tp -60.27 -37.19 79.67 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -61.06 -53.06 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 123.324 0.65 . . . . 10.0 111.596 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 83.9 p -66.96 -37.66 84.69 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 122.995 0.518 . . . . 10.0 111.144 169.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.9 -57.63 4.81 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.995 0.807 . . . . 10.0 113.14 164.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.5 tp -40.18 -63.44 0.61 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.327 1.451 . . . . 10.0 113.32 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -39.85 67.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 -178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.51 -53.97 34.76 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.74 0.816 . . . . 10.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.08 94.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.947 0.899 . . . . 10.0 111.859 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.16 -48.28 82.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.404 1.081 . . . . 10.0 111.716 175.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -57.34 -49.31 76.54 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.811 -0.555 . . . . 10.0 111.402 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -56.57 -53.3 59.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.813 0.445 . . . . 10.0 112.088 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 tp -49.36 -56.72 8.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.698 1.199 . . . . 10.0 111.231 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -51.17 -56.73 11.28 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.751 1.22 . . . . 10.0 111.73 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -57.81 -49.0 78.12 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.464 0.706 . . . . 10.0 112.263 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.25 -51.43 69.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.831 0.452 . . . . 10.0 110.669 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -57.72 -47.08 83.42 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.807 -0.558 . . . . 10.0 112.302 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -69.37 -37.05 77.4 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.958 0.799 . . . . 10.0 112.263 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.3 -50.05 72.52 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.264 -0.898 . . . . 10.0 111.224 170.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -62.01 -38.86 90.23 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.448 -0.782 . . . . 10.0 112.289 174.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.06 -39.49 82.24 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.797 -1.189 . . . . 10.0 111.595 171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -39.06 82.17 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.009 0.924 . . . . 10.0 112.066 174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.14 -51.81 60.76 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.734 0.697 . . . . 10.0 110.631 170.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 54.6 tttp 72.12 -59.3 0.56 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.324 1.602 . . . . 10.0 115.324 163.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.285 -1.34 . . . . 10.0 112.982 -172.243 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 114.058 1.132 . . . . 10.0 114.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -79.35 63.26 3.92 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.123 -0.985 . . . . 10.0 112.322 -175.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -77.22 124.28 27.62 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.97 1.308 . . . . 10.0 112.786 -176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -45.82 -57.16 4.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.274 1.43 . . . . 10.0 112.33 175.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.28 118.62 70.23 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 107.463 -1.31 . . . . 10.0 107.463 166.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.39 163.93 24.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.34 2.027 . . . . 10.0 110.792 -161.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -52.88 -33.29 60.76 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.892 2.394 . . . . 10.0 111.646 171.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.69 -35.73 3.2 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.977 1.275 . . . . 10.0 114.283 168.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.79 -44.71 80.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.438 1.119 . . . . 10.0 112.004 174.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 94.2 m -62.84 -43.67 98.18 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.214 -0.929 . . . . 10.0 110.536 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.57 73.05 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 122.64 0.376 . . . . 10.0 111.748 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.59 -50.41 68.07 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 123.2 0.6 . . . . 10.0 111.685 172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -52.7 -52.42 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 119.531 1.059 . . . . 10.0 111.824 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -57.5 -45.29 85.11 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.65 -0.656 . . . . 10.0 111.591 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 32.4 m -64.13 -36.36 83.79 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.608 0.763 . . . . 10.0 112.302 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.27 -52.17 50.23 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.735 1.214 . . . . 10.0 109.916 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -47.41 42.54 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.586 1.154 . . . . 10.0 111.414 172.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -59.29 -60.14 4.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 122.74 0.416 . . . . 10.0 112.097 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 39.3 t -47.0 -50.81 18.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.384 1.074 . . . . 10.0 112.558 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -83.92 6.0 23.34 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.725 0.81 . . . . 10.0 113.13 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 mm 68.3 -58.93 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.34 1.856 . . . . 10.0 112.74 -178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 39.8 mm . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.032 -1.461 . . . . 10.0 111.143 179.112 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 111.992 0.367 . . . . 10.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 54.6 mt 63.78 -63.88 0.14 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.886 1.674 . . . . 10.0 113.904 -175.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 98.6 t -52.38 -51.1 35.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 126.135 1.774 . . . . 10.0 112.588 -172.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 97.2 p -92.97 -34.84 13.59 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.213 -0.304 . . . . 10.0 111.033 172.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.35 -66.6 1.92 Allowed Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.236 1.398 . . . . 10.0 112.872 174.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 tp 19.85 -96.93 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 128.839 2.856 . . . . 10.0 114.841 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.8 pt -63.61 -42.52 96.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.368 -0.833 . . . . 10.0 112.785 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.91 -48.51 78.65 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.284 0.633 . . . . 10.0 109.658 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.1 -45.32 79.46 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.262 0.625 . . . . 10.0 111.746 175.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -66.03 -47.25 75.03 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.839 0.681 . . . . 10.0 112.839 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -55.6 -49.63 72.26 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.678 -0.639 . . . . 10.0 110.946 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -58.64 -47.59 83.91 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.849 0.859 . . . . 10.0 112.366 176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 47.3 tp -51.73 -57.81 8.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.809 1.244 . . . . 10.0 111.307 172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.86 -56.09 20.83 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.95 0.9 . . . . 10.0 111.524 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -47.68 -57.4 5.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.72 1.208 . . . . 10.0 111.744 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 44.3 tp -63.2 -47.73 81.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.893 0.477 . . . . 10.0 111.426 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -51.61 -51.5 55.11 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.635 0.774 . . . . 10.0 111.09 174.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -57.75 -51.79 68.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.541 0.571 . . . . 10.0 112.541 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -55.58 -48.12 75.33 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.477 -0.764 . . . . 10.0 112.189 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.0 -45.64 86.52 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.896 -0.503 . . . . 10.0 111.258 173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -57.23 -41.89 80.38 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.913 -1.117 . . . . 10.0 111.748 176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.37 -12.16 13.02 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.216 1.191 . . . . 10.0 114.216 174.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 57.2 m -61.64 -27.6 68.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 120.424 1.465 . . . . 10.0 111.814 167.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -73.59 66.81 1.06 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.464 0.706 . . . . 10.0 111.232 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.15 -1.405 . . . . 10.0 111.348 -178.141 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 112.867 0.691 . . . . 10.0 112.867 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 -61.89 0.34 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.711 1.604 . . . . 10.0 112.426 -171.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? 62.69 170.23 0.14 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.786 2.034 . . . . 10.0 111.435 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.08 -44.25 0.49 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.715 2.006 . . . . 10.0 113.762 -172.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.43 88.38 25.04 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.869 1.268 . . . . 10.0 108.283 157.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.08 154.33 29.12 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.448 2.099 . . . . 10.0 111.637 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -44.15 -37.61 9.98 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 124.542 3.495 . . . . 10.0 114.056 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.26 -40.73 7.9 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.132 0.872 . . . . 10.0 113.732 172.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -62.59 -53.48 53.96 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.04 0.92 . . . . 10.0 111.469 174.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -54.94 -46.47 74.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.635 0.774 . . . . 10.0 111.655 176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.09 95.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.229 1.012 . . . . 10.0 111.694 177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -54.58 -55.5 28.65 Favored 'General case' 0 C--O 1.223 -0.315 0 O-C-N 121.601 -0.687 . . . . 10.0 110.951 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -51.72 -51.21 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.779 0.718 . . . . 10.0 111.577 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -58.76 -49.98 75.62 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.641 -0.662 . . . . 10.0 111.984 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.1 p -65.25 -32.88 74.77 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.27 0.841 . . . . 10.0 113.27 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.2 -54.36 46.71 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.029 0.931 . . . . 10.0 109.907 169.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ttp85 -53.84 -47.31 71.07 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.63 0.772 . . . . 10.0 111.877 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -53.59 -57.19 11.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.956 0.902 . . . . 10.0 111.9 171.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.7 t -57.06 -39.52 75.08 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.687 -0.633 . . . . 10.0 112.21 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -70.01 -6.33 32.69 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.995 1.718 . . . . 10.0 113.253 173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.0 mm 71.62 -59.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.823 2.049 . . . . 10.0 111.816 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 116.836 -1.554 . . . . 10.0 111.429 176.34 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -49.3 114.45 1.03 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.818 1.247 . . . . 10.0 114.274 -176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 95.9 t -92.86 -68.99 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.9 0.88 . . . . 10.0 109.596 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 38.3 t -170.26 -179.52 3.11 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.084 1.754 . . . . 10.0 108.534 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.38 -63.06 0.81 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.753 1.168 . . . . 10.0 113.212 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 42.4 tp 37.75 -94.42 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.726 2.41 . . . . 10.0 114.223 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.7 pt -60.48 -43.66 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.66 -0.65 . . . . 10.0 111.866 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -66.64 -45.78 77.94 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.209 0.604 . . . . 10.0 110.449 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.21 -55.42 28.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.198 0.599 . . . . 10.0 111.55 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -59.5 -46.02 90.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.003 0.921 . . . . 10.0 112.353 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -60.58 -52.84 63.46 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.42 -0.8 . . . . 10.0 112.342 176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.07 -40.45 95.85 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.825 1.193 . . . . 10.0 111.558 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 tp -47.88 -58.1 4.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.895 0.77 . . . . 10.0 111.209 167.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -54.43 -56.75 15.53 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.673 0.789 . . . . 10.0 112.383 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -61.28 -44.1 97.78 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.671 -0.643 . . . . 10.0 112.1 -178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.32 -51.45 69.89 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.617 -0.677 . . . . 10.0 110.888 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -54.02 -47.79 71.14 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.8 -0.562 . . . . 10.0 111.919 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.1 ttm-85 -53.94 -50.26 66.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.782 0.833 . . . . 10.0 111.824 176.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -59.15 -50.99 71.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.284 0.634 . . . . 10.0 111.565 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.99 -30.38 70.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.697 -0.627 . . . . 10.0 112.614 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -67.57 -55.73 12.23 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.09 -1.006 . . . . 10.0 110.722 167.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.04 -29.42 43.77 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.127 1.371 . . . . 10.0 112.733 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 49.8 t -48.85 -22.24 0.79 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.945 1.298 . . . . 10.0 113.66 170.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -66.76 65.1 0.05 Allowed 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.361 -0.837 . . . . 10.0 111.601 164.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--O 1.251 1.155 0 CA-C-O 117.917 -1.04 . . . . 10.0 112.47 179.401 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.279 0.103 . . . . 10.0 111.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -83.95 119.84 25.39 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.004 0.922 . . . . 10.0 110.115 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -64.15 -34.86 79.03 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -175.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.58 -50.57 70.78 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.476 -0.765 . . . . 10.0 111.814 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -164.51 118.19 1.0 Allowed Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.266 1.426 . . . . 10.0 110.331 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.11 131.2 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.444 2.096 . . . . 10.0 112.845 -168.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -42.53 -39.73 7.0 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 124.071 3.181 . . . . 10.0 114.161 167.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.72 -39.87 3.7 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.996 1.284 . . . . 10.0 114.338 171.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -59.69 -46.19 89.82 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.322 1.061 . . . . 10.0 111.495 172.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 86.3 m -65.09 -42.53 94.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.555 -0.716 . . . . 10.0 111.186 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.36 78.3 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.941 -0.474 . . . . 10.0 111.655 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.38 -55.13 31.74 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.33 0.652 . . . . 10.0 111.464 172.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 30.6 mm -53.96 -49.9 56.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.0 0.818 . . . . 10.0 112.161 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.07 -54.29 48.62 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.71 -0.619 . . . . 10.0 111.986 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.0 p -59.91 -39.5 85.61 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.665 -0.647 . . . . 10.0 112.501 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.94 -56.93 15.67 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.23 1.012 . . . . 10.0 111.076 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -47.34 66.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.878 1.271 . . . . 10.0 111.682 177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -57.76 -57.65 11.8 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.22 0.608 . . . . 10.0 111.93 173.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 37.8 t -56.41 -42.34 77.84 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.576 -0.702 . . . . 10.0 112.452 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -66.69 -11.99 56.53 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.39 1.476 . . . . 10.0 113.177 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 70.09 -59.28 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 126.609 1.964 . . . . 10.0 110.801 -172.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.446 -1.264 . . . . 10.0 110.181 173.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -54.59 -42.58 71.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.564 0.746 . . . . 10.0 112.028 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.25 -53.6 46.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.313 -0.867 . . . . 10.0 111.306 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 2.1 p -53.67 -49.24 68.4 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.538 0.735 . . . . 10.0 111.319 174.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.39 -55.15 17.46 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 123.675 0.655 . . . . 10.0 112.38 173.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -51.05 -60.42 3.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.081 1.352 . . . . 10.0 111.353 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 22.3 pt -63.21 -41.98 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 121.607 -0.683 . . . . 10.0 112.707 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.92 -50.74 70.97 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.491 -0.756 . . . . 10.0 111.598 176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.12 85.02 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.308 0.643 . . . . 10.0 111.739 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 13.9 ttm-85 -64.75 -45.7 85.35 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.2 1.0 . . . . 10.0 112.353 174.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -54.41 -53.5 53.27 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.91 -0.494 . . . . 10.0 110.654 171.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -54.93 -53.58 53.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.327 0.651 . . . . 10.0 112.431 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 28.8 tp -48.36 -58.47 4.55 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.019 1.328 . . . . 10.0 111.159 174.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.08 -43.75 97.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.781 0.432 . . . . 10.0 112.117 -177.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -57.83 -52.56 64.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.879 0.871 . . . . 10.0 111.497 175.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 31.8 tp -60.68 -50.77 72.18 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.436 0.694 . . . . 10.0 111.251 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -49.0 -52.15 26.64 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.582 0.753 . . . . 10.0 111.91 171.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -57.87 -50.3 73.77 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.392 0.677 . . . . 10.0 111.84 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -54.36 -51.76 63.77 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.886 -0.509 . . . . 10.0 111.317 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.6 mt -59.76 -45.41 92.32 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 122.787 0.435 . . . . 10.0 111.923 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -53.69 -46.0 70.54 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.523 -1.361 . . . . 10.0 111.244 172.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -65.76 -11.94 49.84 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.295 1.22 . . . . 10.0 114.295 175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.3 t -67.73 -31.23 71.01 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.622 1.101 . . . . 10.0 111.343 166.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.2 -58.8 0.45 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.681 1.992 . . . . 10.0 114.694 172.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.153 -1.403 . . . . 10.0 111.787 177.139 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -70.14 133.66 47.34 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.525 -0.734 . . . . 10.0 110.957 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -109.98 -77.17 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.707 0.803 . . . . 10.0 112.228 178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -151.48 87.1 1.36 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.444 0.697 . . . . 10.0 110.948 -173.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -69.41 118.2 59.95 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 123.588 0.755 . . . . 10.0 112.041 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -80.38 155.01 21.68 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 121.977 1.785 . . . . 10.0 111.577 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.43 -29.48 4.85 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 124.81 3.673 . . . . 10.0 115.126 172.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.46 -39.18 7.44 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 123.804 0.716 . . . . 10.0 113.149 170.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.41 -50.85 72.21 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 117.839 0.82 . . . . 10.0 111.722 172.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -48.06 79.75 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.581 -0.699 . . . . 10.0 111.116 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.14 -47.78 80.29 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.183 0.593 . . . . 10.0 112.19 175.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -53.45 -55.76 22.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.065 0.946 . . . . 10.0 111.427 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.3 mm -55.01 -49.83 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 O-C-N 121.677 -0.64 . . . . 10.0 111.748 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.2 -56.27 22.99 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.839 -0.538 . . . . 10.0 111.915 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.0 p -56.07 -47.18 78.44 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.851 -0.53 . . . . 10.0 112.339 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.49 -61.03 2.49 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.963 0.905 . . . . 10.0 111.314 172.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -54.85 -45.18 74.48 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.255 0.622 . . . . 10.0 112.083 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -58.11 -53.47 57.94 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 122.817 0.447 . . . . 10.0 111.916 175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 t -58.78 -42.86 90.0 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.151 0.887 . . . . 10.0 111.806 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -69.36 -6.54 30.51 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.103 1.361 . . . . 10.0 113.253 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.4 mm 68.85 -57.03 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 126.386 1.874 . . . . 10.0 111.466 -170.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.426 -1.273 . . . . 10.0 110.393 174.007 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.552 1.316 . . . . 10.0 114.552 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 53.7 tp 65.74 -65.77 0.17 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.077 1.751 . . . . 10.0 113.98 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 m -63.23 84.89 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-O 122.718 1.247 . . . . 10.0 111.553 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 42.0 m -79.28 58.04 2.46 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.272 1.029 . . . . 10.0 113.164 -167.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.49 48.07 2.16 Favored Glycine 0 CA--C 1.536 1.356 0 O-C-N 121.726 -0.609 . . . . 10.0 113.156 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.0 tp -59.71 -63.03 1.45 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.602 1.161 . . . . 10.0 111.526 -172.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -45.07 62.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 123.654 0.782 . . . . 10.0 112.273 177.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.57 -56.31 23.51 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.792 0.837 . . . . 10.0 111.348 177.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.46 98.84 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.221 0.608 . . . . 10.0 112.148 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.02 -51.12 70.98 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.261 0.625 . . . . 10.0 112.129 172.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -56.59 -53.91 52.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.63 -0.669 . . . . 10.0 111.126 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -48.24 -57.51 5.84 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.625 1.57 . . . . 10.0 112.184 174.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -48.07 -54.03 14.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.281 1.033 . . . . 10.0 111.329 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -62.46 -37.02 84.31 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -60.47 -54.9 40.03 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.79 1.177 . . . . 10.0 109.872 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 mt -54.88 -55.79 26.64 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.594 -0.276 . . . . 10.0 111.043 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -51.64 -56.75 11.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.782 1.233 . . . . 10.0 112.56 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -62.27 -41.43 98.47 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.282 -0.886 . . . . 10.0 112.103 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -61.71 -48.53 80.35 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 121.515 -0.74 . . . . 10.0 111.201 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.36 -28.28 69.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.112 0.965 . . . . 10.0 112.79 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -68.64 -48.66 63.46 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.169 -0.957 . . . . 10.0 111.427 167.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.28 -30.05 71.26 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.865 0.866 . . . . 10.0 112.554 177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -42.65 -31.93 0.52 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 127.543 2.337 . . . . 10.0 115.06 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 60.96 0.55 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.654 0.782 . . . . 10.0 111.631 176.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 116.755 -1.593 . . . . 10.0 112.556 -178.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.3 m120 52.52 -95.08 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.276 1.43 . . . . 10.0 113.116 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -81.58 -25.71 35.55 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.501 0.72 . . . . 10.0 112.08 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 65.92 -68.43 0.13 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.26 1.824 . . . . 10.0 111.876 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -59.47 124.96 77.95 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 124.54 1.136 . . . . 10.0 108.923 169.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.36 142.9 27.32 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 121.967 1.778 . . . . 10.0 111.715 -170.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -46.9 -38.14 22.93 Favored 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.048 2.499 . . . . 10.0 111.901 165.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.87 3.56 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.478 1.513 . . . . 10.0 114.591 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -65.91 -50.52 64.16 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 118.671 1.235 . . . . 10.0 111.334 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 29.9 m -56.79 -46.55 81.48 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.328 -0.858 . . . . 10.0 111.005 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.86 -44.67 78.29 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.499 0.72 . . . . 10.0 112.226 173.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tt -53.68 -51.91 61.72 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.511 -0.743 . . . . 10.0 111.184 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -54.84 -51.83 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 O-C-N 121.658 -0.651 . . . . 10.0 111.827 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -58.26 -52.51 65.29 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.564 -0.71 . . . . 10.0 112.354 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 43.3 p -58.61 -47.8 83.13 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.681 0.792 . . . . 10.0 112.119 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -56.16 13.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.18 0.592 . . . . 10.0 110.912 171.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -53.39 -48.33 68.72 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.265 0.468 . . . . 10.0 112.265 177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -56.45 -54.65 43.16 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.891 0.477 . . . . 10.0 112.111 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 10.6 t -60.08 -45.89 91.4 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.276 0.843 . . . . 10.0 113.276 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -76.4 -23.66 54.06 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.908 0.707 . . . . 10.0 112.908 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 56.9 mt 71.3 -60.29 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.748 2.019 . . . . 10.0 111.512 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.251 1.146 0 CA-C-O 117.028 -1.463 . . . . 10.0 110.633 174.137 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 112.781 0.659 . . . . 10.0 112.781 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 60.1 179.0 0.09 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.1 0.96 . . . . 10.0 111.046 -164.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.14 -44.02 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 120.96 -1.087 . . . . 10.0 112.38 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 18.1 p -56.0 -64.45 0.85 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.286 1.435 . . . . 10.0 111.576 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.49 56.86 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.725 -0.55 . . . . 10.0 111.725 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -57.49 -56.67 18.83 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.213 1.006 . . . . 10.0 112.452 176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 33.0 pt -61.1 -43.59 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.737 1.153 . . . . 10.0 112.391 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -60.34 -45.89 91.86 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.608 -0.683 . . . . 10.0 111.593 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.72 -45.32 94.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.402 0.681 . . . . 10.0 112.131 176.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -53.28 -55.76 22.0 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.504 0.722 . . . . 10.0 111.483 172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.15 -52.35 63.56 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 122.977 0.511 . . . . 10.0 111.657 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -57.69 -56.09 26.44 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.811 0.844 . . . . 10.0 111.787 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -49.77 -54.89 16.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.955 1.302 . . . . 10.0 110.926 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.29 -48.56 80.81 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.02 0.378 . . . . 10.0 112.02 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.47 -47.24 84.7 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.619 -0.675 . . . . 10.0 112.017 176.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.96 -50.83 71.79 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.657 0.783 . . . . 10.0 111.73 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -49.25 -53.62 20.71 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.718 1.207 . . . . 10.0 111.611 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -46.21 79.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.228 0.611 . . . . 10.0 111.625 178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -58.0 -50.56 72.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.215 0.606 . . . . 10.0 111.8 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.69 -33.41 73.96 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.548 0.739 . . . . 10.0 112.429 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -66.9 -58.76 4.37 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.612 -0.68 . . . . 10.0 110.611 167.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -40.64 24.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.168 1.787 . . . . 10.0 112.604 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 18.5 p -68.18 -13.22 62.07 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.305 1.224 . . . . 10.0 114.305 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.78 70.68 0.99 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.609 1.095 . . . . 10.0 110.341 166.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.186 -1.388 . . . . 10.0 111.361 -178.056 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -143.35 76.27 1.51 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.678 1.191 . . . . 10.0 110.018 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -115.53 -32.36 5.58 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.582 1.153 . . . . 10.0 112.269 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -147.39 -135.45 0.08 Allowed 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.481 0.582 . . . . 10.0 112.018 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 m -98.19 159.52 30.5 Favored Pre-proline 0 CA--C 1.54 0.578 0 C-N-CA 126.25 1.82 . . . . 10.0 109.638 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.48 143.94 31.62 Favored 'Trans proline' 0 N--CA 1.454 -0.794 0 C-N-CA 121.175 1.25 . . . . 10.0 109.551 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -58.32 -31.28 93.45 Favored 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 122.555 2.17 . . . . 10.0 111.075 177.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.7 -38.48 4.29 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.851 1.215 . . . . 10.0 113.956 167.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -61.61 -57.5 11.79 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.033 1.416 . . . . 10.0 111.206 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 m -54.14 -47.34 72.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.816 0.846 . . . . 10.0 111.569 176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.28 -47.77 84.58 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.591 0.756 . . . . 10.0 112.006 177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -54.78 -54.58 40.28 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.626 0.771 . . . . 10.0 110.706 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.6 mm -51.13 -54.12 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.747 . . . . 10.0 111.396 177.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -53.52 -49.59 67.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.773 -0.579 . . . . 10.0 111.627 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.8 -38.1 86.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.569 0.748 . . . . 10.0 112.123 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.04 -52.76 61.58 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.593 1.157 . . . . 10.0 110.142 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -53.7 -47.09 70.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.912 0.485 . . . . 10.0 111.815 174.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -61.31 2.38 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.845 0.458 . . . . 10.0 111.23 171.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.8 t -49.79 -46.69 51.11 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.214 1.006 . . . . 10.0 112.78 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -91.0 8.21 36.48 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm 67.28 -52.3 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 126.501 1.92 . . . . 10.0 114.11 -176.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 C--O 1.25 1.122 0 C-N-CA 125.03 1.332 . . . . 10.0 114.16 -174.341 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp 54.65 -100.46 0.11 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.726 2.01 . . . . 10.0 112.43 177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.41 -25.9 34.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 O-C-N 121.619 -0.676 . . . . 10.0 112.02 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 1.3 m -74.33 73.86 1.85 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.077 0.951 . . . . 10.0 110.783 -175.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 63.66 1.09 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.4 1.0 . . . . 10.0 112.814 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -42.3 -47.36 4.81 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.879 1.672 . . . . 10.0 115.041 -171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.76 -45.77 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 O-C-N 121.61 -0.681 . . . . 10.0 112.371 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.51 -46.55 75.83 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.703 -0.623 . . . . 10.0 110.152 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.67 -52.42 48.2 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.749 0.819 . . . . 10.0 111.797 173.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -56.75 -50.85 71.01 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.732 1.213 . . . . 10.0 111.755 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.36 -49.9 76.04 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.55 -0.719 . . . . 10.0 112.433 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . 0.258 0.5 OUTLIER -66.53 -36.0 81.61 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.114 -0.991 . . . . 10.0 112.24 177.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.85 -57.1 10.32 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 119.001 0.819 . . . . 10.0 110.347 169.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -53.08 -50.39 64.48 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.426 0.69 . . . . 10.0 111.713 175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.62 -56.03 23.34 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.247 0.619 . . . . 10.0 112.188 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.28 -50.99 71.15 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.489 0.716 . . . . 10.0 111.476 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -56.54 -45.79 81.01 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.51 -0.744 . . . . 10.0 111.893 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp-105 -59.45 -50.44 73.91 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.216 0.607 . . . . 10.0 111.759 174.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -55.36 -50.04 70.71 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.651 -0.656 . . . . 10.0 111.904 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.87 -26.84 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.792 1.237 . . . . 10.0 112.332 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -66.77 -56.88 8.51 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.659 -1.276 . . . . 10.0 110.109 165.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -33.25 54.14 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.929 1.291 . . . . 10.0 112.87 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 15.4 t -44.17 -35.59 2.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.612 1.565 . . . . 10.0 113.5 169.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.312 63.1 pttt 61.27 -52.28 0.11 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.24 2.616 . . . . 10.0 117.13 173.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.25 1.096 0 C-N-CA 125.627 1.571 . . . . 10.0 112.302 -179.344 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 121.206 0.527 . . . . 10.0 111.129 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.46 129.81 2.37 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.691 0.797 . . . . 10.0 112.533 -164.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 63.9 mtt-85 -89.85 -52.91 4.74 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 10.0 110.044 155.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -71.95 81.35 0.92 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.935 1.694 . . . . 10.0 112.153 -171.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -58.21 117.72 22.0 Favored Pre-proline 0 CA--C 1.546 0.81 0 O-C-N 121.843 -0.536 . . . . 10.0 110.131 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.63 146.27 30.28 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 122.247 1.965 . . . . 10.0 111.646 -170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -62.71 -23.0 74.45 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.716 2.944 . . . . 10.0 112.408 -177.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.23 -38.02 8.46 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 123.639 0.638 . . . . 10.0 112.975 165.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -56.57 -50.07 73.0 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 117.94 0.87 . . . . 10.0 111.419 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.2 m -61.07 -44.85 96.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.571 0.748 . . . . 10.0 111.865 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.89 66.72 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.088 0.47 . . . . 10.0 111.951 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.41 -58.59 6.58 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.982 0.913 . . . . 10.0 111.082 174.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 22.8 mm -56.27 -45.98 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 O-C-N 121.557 -0.714 . . . . 10.0 112.199 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -58.96 -54.18 50.0 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.586 -0.696 . . . . 10.0 111.977 176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 44.1 p -60.38 -40.7 91.8 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.877 -0.514 . . . . 10.0 112.139 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.24 -57.86 10.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.478 1.111 . . . . 10.0 110.908 173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.96 -51.12 17.8 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.243 1.417 . . . . 10.0 111.067 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -61.79 -60.59 3.42 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.26 -46.51 17.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.121 1.368 . . . . 10.0 112.897 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -96.71 14.26 25.62 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.155 0.982 . . . . 10.0 113.048 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 34.8 mm 68.25 -55.53 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 C-N-CA 126.089 1.756 . . . . 10.0 113.367 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.872 1.669 . . . . 10.0 111.245 176.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.765 0.654 . . . . 10.0 112.765 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp -79.09 160.93 26.85 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.987 0.915 . . . . 10.0 110.198 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 m -72.0 109.0 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.812 -0.555 . . . . 10.0 110.127 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 23.8 p 66.62 -58.61 0.37 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.397 1.879 . . . . 10.0 112.753 -170.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.87 -66.47 1.76 Allowed Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.628 1.108 . . . . 10.0 114.215 165.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.3 tp -31.49 -65.15 0.14 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 127.335 2.254 . . . . 10.0 114.058 -170.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -59.72 -44.78 94.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 N-CA-C 112.794 0.664 . . . . 10.0 112.794 -176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -64.92 -53.89 39.27 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.584 0.754 . . . . 10.0 110.218 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.54 65.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.056 0.943 . . . . 10.0 111.379 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -55.11 -53.94 49.49 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.333 1.053 . . . . 10.0 111.751 175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -55.91 -53.39 57.39 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.092 0.405 . . . . 10.0 112.061 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -54.79 -56.17 22.22 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.002 0.521 . . . . 10.0 112.02 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.45 -56.57 14.15 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.605 1.162 . . . . 10.0 110.746 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.58 -43.12 99.44 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.872 0.469 . . . . 10.0 111.923 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -58.51 -53.93 52.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.699 -0.626 . . . . 10.0 110.893 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tp -55.89 -52.91 62.43 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 122.039 -0.413 . . . . 10.0 110.857 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -47.73 -54.62 11.63 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.699 0.799 . . . . 10.0 112.05 171.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.94 76.26 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.236 1.014 . . . . 10.0 113.085 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -68.96 -51.97 34.02 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.36 -0.838 . . . . 10.0 111.252 173.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.46 -42.21 91.49 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.179 -0.951 . . . . 10.0 112.356 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -37.6 34.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.257 1.423 . . . . 10.0 111.638 167.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 -33.4 33.31 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.92 0.888 . . . . 10.0 113.105 177.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 14.4 t -58.99 -51.99 67.71 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.884 1.274 . . . . 10.0 111.428 172.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 mttm 64.67 -73.63 0.05 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.283 1.433 . . . . 10.0 114.103 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.251 1.155 0 C-N-CA 126.513 1.925 . . . . 10.0 112.329 -167.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 121.72 0.771 . . . . 10.0 112.581 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -69.31 77.72 0.38 Allowed 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.419 -0.8 . . . . 10.0 110.65 167.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -130.21 112.11 13.05 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.744 1.618 . . . . 10.0 112.725 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -55.72 -36.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.023 1.329 . . . . 10.0 112.188 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.78 109.74 3.24 Favored Pre-proline 0 CA--C 1.54 0.578 0 N-CA-C 107.273 -1.38 . . . . 10.0 107.273 162.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.77 145.89 52.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 CA-C-N 121.231 1.475 . . . . 10.0 111.613 -165.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.26 -41.53 34.8 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 123.038 2.492 . . . . 10.0 111.559 166.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.73 -37.52 5.21 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 125.442 1.496 . . . . 10.0 114.221 171.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -65.84 -51.07 62.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.168 1.484 . . . . 10.0 111.206 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.8 m -56.6 -45.71 81.28 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.504 -0.747 . . . . 10.0 110.722 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.65 83.38 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.484 0.55 . . . . 10.0 112.484 173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -52.89 -54.14 38.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.118 0.967 . . . . 10.0 110.611 173.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mm -59.85 -46.75 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 O-C-N 121.449 -0.782 . . . . 10.0 112.61 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -55.83 28.2 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.03 0.832 . . . . 10.0 111.124 177.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.0 p -58.32 -42.05 85.91 Favored 'General case' 0 CA--C 1.535 0.365 0 O-C-N 121.82 -0.55 . . . . 10.0 112.145 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -57.67 -52.49 65.23 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.851 0.861 . . . . 10.0 112.129 174.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -54.66 -48.57 72.16 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.505 0.722 . . . . 10.0 110.744 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -59.3 -54.64 44.51 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 111.889 0.329 . . . . 10.0 111.889 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.1 t -51.19 -45.94 61.97 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.274 1.43 . . . . 10.0 112.301 177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -75.17 -3.5 33.34 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.796 1.239 . . . . 10.0 113.145 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.1 mm 69.58 -59.81 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 126.931 2.093 . . . . 10.0 111.513 -175.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.775 -1.107 . . . . 10.0 110.715 170.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.231 0 N-CA-C 112.881 0.697 . . . . 10.0 112.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 42.8 mt 73.33 -42.14 0.52 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 115.669 1.729 . . . . 10.0 115.669 169.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 21.7 m -68.6 70.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 114.174 1.175 . . . . 10.0 114.174 -174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -31.06 -60.7 0.2 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 128.687 2.795 . . . . 10.0 114.244 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -48.02 58.25 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 123.092 0.377 . . . . 10.0 113.288 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -72.59 -48.36 40.42 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.885 -0.774 . . . . 10.0 110.63 -176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 pt -57.63 -44.16 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 120.208 -0.597 . . . . 10.0 111.478 175.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -60.62 -46.66 89.43 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.633 -0.667 . . . . 10.0 111.702 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.68 67.97 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.725 -0.61 . . . . 10.0 112.464 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -68.22 -36.28 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.28 0.844 . . . . 10.0 113.28 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -57.42 -49.0 77.63 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.026 -1.047 . . . . 10.0 111.685 169.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -56.92 -51.77 67.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.065 0.946 . . . . 10.0 111.115 175.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -48.2 -57.11 6.37 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.965 0.906 . . . . 10.0 110.895 173.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.37 -48.21 82.72 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.57 0.581 . . . . 10.0 112.57 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -55.44 -53.47 55.84 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.811 -0.556 . . . . 10.0 111.518 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.21 -49.17 78.01 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.446 0.698 . . . . 10.0 111.464 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -48.96 -59.11 3.88 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.408 1.083 . . . . 10.0 112.132 170.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -61.74 -35.11 77.14 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.387 -0.821 . . . . 10.0 112.457 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.98 -49.85 75.79 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.137 0.881 . . . . 10.0 111.432 172.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.79 -29.92 71.07 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.605 0.762 . . . . 10.0 112.123 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -66.47 -51.43 56.83 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.131 -0.981 . . . . 10.0 110.912 166.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -32.69 61.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.907 1.683 . . . . 10.0 112.587 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 50.9 t -48.79 -33.65 10.83 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.465 1.106 . . . . 10.0 113.06 169.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.313 24.4 pttm 63.13 -44.52 0.21 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 128.69 2.796 . . . . 10.0 117.73 169.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.414 177.473 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 112.571 0.582 . . . . 10.0 112.571 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 70.42 -57.05 0.59 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.276 1.831 . . . . 10.0 114.399 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -84.11 -54.12 5.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.179 0.992 . . . . 10.0 110.563 -176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 62.87 39.86 10.18 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.158 0.983 . . . . 10.0 113.116 166.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -168.46 93.18 0.6 Allowed Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.416 1.487 . . . . 10.0 111.207 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.39 149.97 21.97 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 122.022 1.815 . . . . 10.0 110.739 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -46.98 -35.21 18.06 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.774 2.983 . . . . 10.0 113.775 170.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.79 -40.86 19.21 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 123.691 0.662 . . . . 10.0 113.195 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -61.15 -47.04 88.04 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.365 1.083 . . . . 10.0 111.557 173.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 7.4 m -55.79 -50.88 69.28 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.903 -0.498 . . . . 10.0 111.153 176.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.92 82.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.286 0.565 . . . . 10.0 112.206 176.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 tt -54.22 -64.64 0.77 Allowed 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 123.886 0.874 . . . . 10.0 111.08 174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 7.4 tp -60.79 -35.09 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 O-C-N 121.657 -0.652 . . . . 10.0 112.104 -174.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -58.23 -55.53 33.75 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.656 0.662 . . . . 10.0 111.51 168.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 25.9 p -59.72 -30.67 68.98 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -66.25 -55.09 17.87 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.016 0.926 . . . . 10.0 110.745 172.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -50.72 -46.95 59.3 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.262 1.025 . . . . 10.0 110.722 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 mtpp -54.99 -67.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 122.695 0.398 . . . . 10.0 111.849 169.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 47.1 t -48.01 -45.22 31.62 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.05 0.94 . . . . 10.0 113.343 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -79.67 -18.45 51.35 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.701 1.2 . . . . 10.0 113.404 178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 22.7 mm 68.36 -58.61 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 126.658 1.983 . . . . 10.0 111.54 -170.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.555 -1.212 . . . . 10.0 110.475 175.135 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 112.918 0.71 . . . . 10.0 112.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -48.93 -30.93 6.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.809 2.044 . . . . 10.0 116.229 -167.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.96 -38.57 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.46 -0.775 . . . . 10.0 111.995 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.2 t -108.14 -63.37 1.33 Allowed 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 124.266 1.026 . . . . 10.0 112.053 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.76 -11.69 7.05 Favored Glycine 0 CA--C 1.538 1.518 0 CA-C-O 118.648 -1.084 . . . . 10.0 114.2 -167.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 56.6 tp -52.43 -56.44 15.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.908 1.854 . . . . 10.0 113.311 -168.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -45.48 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -64.02 -51.24 65.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.157 0.983 . . . . 10.0 110.859 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.51 -44.32 80.61 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.449 1.1 . . . . 10.0 111.714 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -59.22 -52.77 64.27 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.833 0.853 . . . . 10.0 111.419 173.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -54.74 -47.93 73.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.584 -0.697 . . . . 10.0 111.549 177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -54.33 -59.46 4.64 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.882 0.873 . . . . 10.0 111.036 173.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -47.01 -57.23 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.763 1.625 . . . . 10.0 111.736 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -52.64 -57.8 8.89 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.633 1.573 . . . . 10.0 111.829 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.07 -44.78 95.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.644 -0.66 . . . . 10.0 112.067 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -53.4 57.57 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.41 0.684 . . . . 10.0 110.459 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -55.06 -49.59 71.25 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.501 -0.75 . . . . 10.0 112.435 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -52.99 -49.57 65.92 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.687 0.676 . . . . 10.0 111.85 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -52.5 -51.41 59.64 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.794 -0.566 . . . . 10.0 111.616 175.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.63 -39.95 95.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.445 -0.784 . . . . 10.0 112.696 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -63.96 -30.79 71.84 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.031 -1.043 . . . . 10.0 111.844 175.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -73.61 -41.34 62.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.31 0.644 . . . . 10.0 112.249 167.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -51.97 -45.43 64.44 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.98 0.809 . . . . 10.0 111.633 172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . 0.274 6.6 ptpp? 66.19 -41.78 0.37 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 118.064 2.616 . . . . 10.0 118.064 163.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.233 -1.365 . . . . 10.0 112.512 -179.001 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.988 0.423 . . . . 10.0 112.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.72 59.37 1.18 Allowed 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.178 -0.951 . . . . 10.0 111.679 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -101.54 -40.34 7.08 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.301 1.04 . . . . 10.0 111.54 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -73.8 60.28 0.71 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.738 1.615 . . . . 10.0 113.999 -163.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 p -79.57 130.2 68.84 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.48 1.112 . . . . 10.0 111.118 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -84.72 157.19 12.0 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.009 2.473 . . . . 10.0 111.335 -174.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -59.64 -26.42 82.08 Favored 'Trans proline' 0 CA--C 1.538 0.693 0 C-N-CA 122.843 2.362 . . . . 10.0 111.662 174.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.81 -38.07 9.76 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.078 0.847 . . . . 10.0 113.294 167.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -61.96 -52.13 65.29 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.312 1.056 . . . . 10.0 111.007 173.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -54.98 -46.04 75.06 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.428 0.691 . . . . 10.0 111.787 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.44 97.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.435 0.694 . . . . 10.0 112.516 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tt -55.7 -50.92 69.01 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.469 -0.77 . . . . 10.0 111.063 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.3 mm -55.9 -50.68 67.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 O-C-N 121.522 -0.736 . . . . 10.0 111.381 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -53.95 -55.51 26.41 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.672 -0.643 . . . . 10.0 111.396 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -59.81 -43.75 94.34 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.762 0.653 . . . . 10.0 112.762 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.5 -49.33 67.76 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.506 1.122 . . . . 10.0 111.842 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -61.29 -47.49 85.74 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.836 -0.54 . . . . 10.0 111.893 175.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -56.31 -42.88 78.32 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.401 -0.812 . . . . 10.0 112.44 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.37 -57.65 9.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.941 1.297 . . . . 10.0 112.6 176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -87.21 -18.87 29.31 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.275 1.03 . . . . 10.0 113.704 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 28.7 mm 70.09 -60.32 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.505 1.922 . . . . 10.0 111.49 -176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.183 -1.389 . . . . 10.0 110.587 173.087 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 37.4 p30 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.488 0.551 . . . . 10.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.98 133.74 22.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.366 0.667 . . . . 10.0 111.706 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . 0.321 27.9 m 52.25 -69.21 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 126.956 2.102 . . . . 10.0 114.064 -166.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 53.2 p -33.64 -71.66 0.06 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 128.596 2.759 . . . . 10.0 114.238 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -47.62 39.35 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.159 -0.776 . . . . 10.0 111.159 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -40.57 -53.93 2.62 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.345 1.858 . . . . 10.0 113.701 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.9 pt -58.61 -42.93 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 O-C-N 121.422 -0.799 . . . . 10.0 112.252 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -66.86 -41.17 87.78 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.491 -0.756 . . . . 10.0 111.222 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.19 84.8 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 10.0 111.517 173.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -58.83 -50.69 73.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.486 0.55 . . . . 10.0 112.486 170.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -53.69 -55.93 21.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.85 0.75 . . . . 10.0 111.433 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -47.18 -57.05 5.55 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.199 1.8 . . . . 10.0 112.151 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 53.1 tp -49.86 -54.12 21.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.281 1.032 . . . . 10.0 111.866 174.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.7 -49.73 76.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.213 0.605 . . . . 10.0 111.623 -178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -61.74 1.87 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.55 1.14 . . . . 10.0 110.545 174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.63 -55.82 19.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.748 0.419 . . . . 10.0 111.093 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -47.51 74.23 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.298 0.639 . . . . 10.0 112.551 -177.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -68.08 -37.55 81.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.036 0.835 . . . . 10.0 112.546 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -59.72 -54.37 47.15 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.261 0.937 . . . . 10.0 110.736 170.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 38.9 mt -57.71 -33.66 68.64 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.06 0.944 . . . . 10.0 112.241 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.37 -70.55 0.22 Allowed 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.382 -0.824 . . . . 10.0 110.814 166.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -29.84 29.92 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.604 1.562 . . . . 10.0 113.063 -171.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.9 t -36.4 -47.09 0.59 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.981 1.312 . . . . 10.0 113.766 167.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -147.22 -37.19 0.21 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.881 1.067 . . . . 10.0 113.881 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.167 -1.397 . . . . 10.0 111.105 -175.448 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 113.097 0.777 . . . . 10.0 113.097 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -56.77 139.91 49.35 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -73.05 157.52 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.522 0.729 . . . . 10.0 111.326 175.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 69.21 -54.14 0.58 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.245 1.818 . . . . 10.0 114.495 173.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 34.4 t -129.94 95.41 28.66 Favored Pre-proline 0 CA--C 1.541 0.623 0 C-N-CA 125.129 1.372 . . . . 10.0 109.013 174.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -81.99 149.08 15.57 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.639 2.226 . . . . 10.0 111.524 -171.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -58.1 -28.38 83.43 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 124.053 3.169 . . . . 10.0 113.25 -172.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.57 -38.74 4.23 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 123.923 0.773 . . . . 10.0 113.759 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -60.19 -57.25 13.6 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.1 0.95 . . . . 10.0 111.644 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 19.5 m -53.24 -47.51 68.98 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.579 0.752 . . . . 10.0 111.324 175.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.87 78.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.8 0.84 . . . . 10.0 111.933 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -54.16 -53.43 53.54 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.772 -0.58 . . . . 10.0 111.475 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.06 -47.98 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 118.511 0.596 . . . . 10.0 111.823 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -56.75 -47.31 80.35 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.658 -0.651 . . . . 10.0 111.422 174.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 34.8 m -59.63 -45.04 93.16 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.697 -0.627 . . . . 10.0 111.601 177.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 tt -55.36 -56.02 24.89 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.102 0.961 . . . . 10.0 110.363 174.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -50.28 -51.4 45.22 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.907 0.883 . . . . 10.0 111.469 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -58.45 -46.47 86.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.339 0.866 . . . . 10.0 113.339 178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 33.6 t -68.04 -53.37 26.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.895 0.77 . . . . 10.0 112.387 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -80.89 -13.43 58.93 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 27.3 mm 71.98 -60.14 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.227 1.811 . . . . 10.0 110.865 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 C--O 1.253 1.26 0 CA-C-O 117.79 -1.1 . . . . 10.0 112.214 174.111 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 111.435 0.161 . . . . 10.0 111.435 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.34 161.29 30.71 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.746 -0.596 . . . . 10.0 110.355 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.62 -52.65 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.024 -1.048 . . . . 10.0 111.138 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 25.0 p -57.56 -62.77 1.55 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.788 1.235 . . . . 10.0 110.927 172.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -40.52 -50.57 3.87 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 125.526 1.536 . . . . 10.0 113.26 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 tp -53.89 -62.93 1.33 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.792 1.637 . . . . 10.0 111.95 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 35.2 pt -62.68 -43.5 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 O-C-N 121.766 -0.584 . . . . 10.0 112.005 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.89 -49.98 75.25 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.779 -0.575 . . . . 10.0 111.578 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.57 89.15 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.112 0.565 . . . . 10.0 112.119 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -61.04 -51.68 68.16 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.788 0.722 . . . . 10.0 111.626 175.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -56.83 -48.22 78.51 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.66 -0.65 . . . . 10.0 111.459 175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.51 -47.3 86.04 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.402 0.519 . . . . 10.0 112.402 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -52.16 -52.26 52.96 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.753 1.221 . . . . 10.0 110.404 173.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -55.99 -60.88 2.84 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.768 0.427 . . . . 10.0 111.119 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -45.33 -58.67 3.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.77 1.228 . . . . 10.0 111.734 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.96 -45.53 92.01 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.921 0.488 . . . . 10.0 111.566 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -57.99 -44.58 87.24 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.308 -0.87 . . . . 10.0 111.795 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -62.01 -48.22 81.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 122.96 0.504 . . . . 10.0 111.429 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -55.46 -48.27 74.79 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.567 -0.708 . . . . 10.0 111.717 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.99 -45.52 94.47 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.513 -0.742 . . . . 10.0 111.837 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -55.41 -43.82 75.62 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.531 -0.731 . . . . 10.0 111.23 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -41.84 98.59 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.765 -0.585 . . . . 10.0 111.795 174.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . 0.252 1.5 p -68.51 -27.83 66.46 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.947 0.794 . . . . 10.0 112.878 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -68.53 69.7 0.16 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.991 0.901 . . . . 10.0 111.454 164.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.928 -1.034 . . . . 10.0 112.322 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 112.774 0.657 . . . . 10.0 112.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -118.04 140.0 50.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.839 0.855 . . . . 10.0 112.217 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.413 ' CZ ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -65.43 144.5 57.02 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.767 1.227 . . . . 10.0 112.02 171.196 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -158.81 150.65 21.02 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.11 0.564 . . . . 10.0 112.508 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -79.5 110.87 16.92 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.723 0.809 . . . . 10.0 110.008 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -81.27 162.87 19.92 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 122.805 2.337 . . . . 10.0 111.459 -170.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.44 -39.33 36.19 Favored 'Trans proline' 0 CA--C 1.534 0.508 0 C-N-CA 123.419 2.746 . . . . 10.0 112.617 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.16 -38.32 8.52 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.737 1.16 . . . . 10.0 113.935 173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -66.5 -52.61 44.14 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.575 1.188 . . . . 10.0 111.328 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.4 m -53.19 -47.97 68.43 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.656 -0.652 . . . . 10.0 110.919 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.63 87.75 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.874 0.87 . . . . 10.0 112.065 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.37 -55.03 28.3 Favored 'General case' 0 C--O 1.223 -0.328 0 O-C-N 121.562 -0.711 . . . . 10.0 111.076 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.4 mm -53.94 -51.69 43.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.06 0.845 . . . . 10.0 111.747 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -56.76 -49.27 75.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.555 -0.716 . . . . 10.0 112.273 176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.3 p -68.67 -27.29 65.85 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.554 0.946 . . . . 10.0 113.554 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.11 -56.33 15.67 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.091 0.957 . . . . 10.0 109.51 169.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -46.42 39.26 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.166 0.986 . . . . 10.0 111.72 173.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -59.39 -60.44 3.85 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.518 0.727 . . . . 10.0 112.413 174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 41.8 t -55.18 -42.98 73.92 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.778 0.831 . . . . 10.0 112.421 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -76.89 3.08 12.85 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.311 1.445 . . . . 10.0 112.873 176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.5 mm 71.57 -53.7 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 126.207 1.803 . . . . 10.0 111.936 -174.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' H ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.021 -1.466 . . . . 10.0 111.84 172.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 113.239 0.829 . . . . 10.0 113.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.03 -9.52 31.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.25 1.42 . . . . 10.0 114.788 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . 0.412 HG23 ' H ' ' B' ' 4' ' ' SER . 11.9 m -121.0 -76.95 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 119.797 1.18 . . . . 10.0 112.502 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.412 ' H ' HG23 ' B' ' 3' ' ' VAL . 78.4 p -69.43 -46.79 65.95 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.047 -1.033 . . . . 10.0 110.78 -174.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.38 -55.62 23.75 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.415 -0.674 . . . . 10.0 111.415 171.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -46.4 -63.99 0.87 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.02 0.928 . . . . 10.0 112.182 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.0 pt -62.15 -42.14 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.646 0.657 . . . . 10.0 112.101 -175.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.1 -55.42 34.92 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.776 0.716 . . . . 10.0 111.494 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.68 -47.52 76.63 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.102 0.961 . . . . 10.0 111.735 177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -63.71 -47.07 82.62 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 122.958 0.503 . . . . 10.0 112.295 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -59.0 -46.58 87.81 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.522 -0.736 . . . . 10.0 111.585 174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -59.13 -52.96 63.47 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.468 -0.77 . . . . 10.0 111.461 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -46.77 -58.76 3.57 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.116 1.366 . . . . 10.0 111.161 173.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -55.96 -55.95 26.55 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.332 0.653 . . . . 10.0 112.038 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.94 -49.21 71.91 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.25 -0.906 . . . . 10.0 112.442 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 tp -60.88 -52.04 66.73 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.71 -0.619 . . . . 10.0 111.228 179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -51.77 -48.19 63.85 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.096 0.558 . . . . 10.0 112.082 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -59.14 -45.61 90.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.618 0.767 . . . . 10.0 111.994 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -58.6 -51.53 69.53 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.483 -0.761 . . . . 10.0 111.96 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.99 -37.5 69.19 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.579 -0.701 . . . . 10.0 112.769 175.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -70.4 -42.43 71.69 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.673 1.189 . . . . 10.0 111.643 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.73 -37.77 82.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.976 0.91 . . . . 10.0 111.758 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.29 61.4 0.06 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.347 1.459 . . . . 10.0 111.361 169.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -82.2 52.3 1.98 Allowed 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.785 -1.197 . . . . 10.0 112.469 -166.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 117.972 -1.013 . . . . 10.0 112.233 -177.265 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.496 0.554 . . . . 10.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -74.05 63.76 0.98 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.572 -0.705 . . . . 10.0 111.547 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -53.08 61.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.413 1.885 . . . . 10.0 115.583 -168.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -81.85 82.01 7.66 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.934 0.873 . . . . 10.0 112.876 -165.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 23.7 t -56.3 125.38 65.08 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.241 1.016 . . . . 10.0 110.34 167.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -75.36 145.18 29.96 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.281 1.987 . . . . 10.0 111.21 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -46.28 -31.93 9.92 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 123.792 2.995 . . . . 10.0 113.496 166.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.56 -39.51 5.91 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.27 0.938 . . . . 10.0 113.838 169.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -63.7 -47.22 82.04 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.576 1.188 . . . . 10.0 111.835 173.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 6.7 m -56.01 -48.16 76.45 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.816 -0.552 . . . . 10.0 110.865 175.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.52 -47.08 86.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.409 0.683 . . . . 10.0 112.093 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.5 tt -52.87 -62.09 1.87 Allowed 'General case' 0 C--O 1.224 -0.244 0 C-N-CA 123.399 0.679 . . . . 10.0 110.952 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 4.7 tp -62.76 -37.85 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 118.766 0.712 . . . . 10.0 112.121 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -56.43 -54.27 47.65 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.451 -0.781 . . . . 10.0 111.606 170.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -61.57 -34.43 75.58 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.966 0.728 . . . . 10.0 112.966 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.21 -56.08 26.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.951 0.796 . . . . 10.0 110.408 171.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 89.5 mtt-85 -50.4 -51.26 47.81 Favored 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 123.238 0.615 . . . . 10.0 111.672 174.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -64.26 -44.03 93.02 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.95 0.722 . . . . 10.0 112.95 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.7 t -54.0 -43.48 70.06 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.373 -0.829 . . . . 10.0 111.45 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -82.49 11.18 5.94 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.374 1.47 . . . . 10.0 112.968 173.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.8 mm 65.66 -61.32 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.254 1.821 . . . . 10.0 112.753 -170.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.012 1.725 . . . . 10.0 112.151 178.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 tp -153.69 123.63 6.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.459 1.103 . . . . 10.0 110.113 173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t 13.29 -84.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 128.764 2.826 . . . . 10.0 116.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 22.1 p -58.52 -60.04 4.43 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.666 1.187 . . . . 10.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.4 -34.83 49.36 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.754 1.168 . . . . 10.0 112.891 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.62 -61.58 2.33 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.409 -1.053 . . . . 10.0 110.551 175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 32.5 pt -60.06 -41.46 86.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 121.886 -0.509 . . . . 10.0 111.859 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.73 -58.25 8.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.356 0.662 . . . . 10.0 111.211 173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.68 83.6 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 122.888 0.475 . . . . 10.0 111.919 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.24 -51.24 70.84 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.538 0.735 . . . . 10.0 112.477 174.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -58.44 -49.94 75.52 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.699 -0.625 . . . . 10.0 111.622 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -54.91 -52.99 61.18 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.573 0.749 . . . . 10.0 111.635 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -52.65 -52.27 56.45 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.668 1.187 . . . . 10.0 111.22 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.75 -55.68 27.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.524 0.73 . . . . 10.0 111.766 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tp60 -60.63 -46.9 88.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.743 -0.598 . . . . 10.0 112.068 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 34.8 tp -59.57 -51.68 68.8 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.696 -0.627 . . . . 10.0 110.948 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -51.49 -51.3 56.28 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.262 0.625 . . . . 10.0 111.847 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -55.62 -48.51 74.8 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.139 0.427 . . . . 10.0 111.613 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -58.75 -48.02 82.65 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.608 0.763 . . . . 10.0 111.836 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.76 -34.81 78.73 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.57 -0.706 . . . . 10.0 112.09 176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -62.43 -48.5 79.38 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.979 -1.075 . . . . 10.0 110.797 170.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -55.14 -44.92 75.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.178 0.591 . . . . 10.0 112.206 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 22.7 t -51.91 -37.92 54.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.015 0.926 . . . . 10.0 112.435 173.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -72.88 67.37 0.82 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.936 0.874 . . . . 10.0 111.13 175.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 116.788 -1.577 . . . . 10.0 112.571 176.544 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.247 0.546 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.86 59.34 0.68 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.779 1.232 . . . . 10.0 111.969 -178.487 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.5 mtp-105 64.27 -67.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.712 2.005 . . . . 10.0 114.765 177.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -145.69 160.65 41.4 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.509 1.124 . . . . 10.0 112.928 -162.045 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.4 t -146.73 121.47 5.29 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 126.494 1.917 . . . . 10.0 107.576 168.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.37 151.54 26.18 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.632 2.221 . . . . 10.0 110.944 -175.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -59.24 -30.89 94.16 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 122.528 2.152 . . . . 10.0 110.904 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.63 -37.81 7.03 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.467 1.032 . . . . 10.0 113.574 166.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.53 -51.2 66.51 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 119.07 1.435 . . . . 10.0 111.117 175.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.0 m -54.88 -49.4 71.27 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.775 -0.578 . . . . 10.0 111.154 175.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.24 90.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.098 0.559 . . . . 10.0 112.204 176.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.05 -54.51 42.19 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 121.69 -0.631 . . . . 10.0 110.853 171.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.2 mm -53.16 -50.12 47.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 119.503 1.047 . . . . 10.0 111.769 178.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.75 -48.34 81.53 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.629 -0.67 . . . . 10.0 112.138 177.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.1 p -68.72 -30.71 69.41 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 177.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.08 -55.45 25.37 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 125.251 1.42 . . . . 10.0 109.581 172.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -46.82 -54.86 8.97 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.695 0.798 . . . . 10.0 110.616 170.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -57.47 -54.38 47.47 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.901 0.704 . . . . 10.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.78 -52.01 65.96 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.722 0.809 . . . . 10.0 112.805 -178.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -86.33 -29.75 22.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.603 1.161 . . . . 10.0 112.834 -169.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mt 70.74 -65.51 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.66 1.584 . . . . 10.0 112.063 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.199 -0.905 . . . . 10.0 112.845 178.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 112.03 0.381 . . . . 10.0 112.03 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.3 tp -50.68 -47.47 58.87 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -178.01 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -72.07 -42.9 67.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.014 0.926 . . . . 10.0 111.162 -178.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 43.2 p -56.0 -39.66 72.21 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.009 0.433 . . . . 10.0 111.461 172.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.26 -51.3 57.54 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 119.441 -0.644 . . . . 10.0 111.991 168.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 tt -46.82 -66.58 0.38 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.067 1.347 . . . . 10.0 111.611 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . 0.255 0.2 OUTLIER -64.02 -39.3 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 119.803 -0.759 . . . . 10.0 111.976 -171.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -59.6 -54.16 49.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.901 -0.499 . . . . 10.0 111.651 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.49 -41.08 72.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.009 0.924 . . . . 10.0 111.978 176.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -65.43 -49.23 69.96 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.165 0.586 . . . . 10.0 112.373 176.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -56.13 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.484 -0.76 . . . . 10.0 111.097 174.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -50.28 -58.85 4.73 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.254 1.422 . . . . 10.0 111.296 173.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 45.8 tp -46.69 -60.17 2.56 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.12 1.368 . . . . 10.0 112.261 173.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.61 -51.63 69.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.985 0.914 . . . . 10.0 111.625 -176.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -62.1 -46.12 90.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.564 0.746 . . . . 10.0 112.265 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.49 -56.54 20.57 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 117.962 0.346 . . . . 10.0 110.61 174.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -53.27 -46.88 69.43 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.155 0.428 . . . . 10.0 112.155 178.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -52.72 -55.89 19.47 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.271 0.628 . . . . 10.0 112.195 172.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -56.5 -55.7 30.41 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 118.598 0.635 . . . . 10.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mp -49.95 -47.78 52.33 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.043 1.337 . . . . 10.0 112.109 176.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -59.24 -50.63 73.28 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.318 -0.863 . . . . 10.0 111.446 173.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.26 -24.3 63.1 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.537 0.94 . . . . 10.0 113.537 179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 32.8 m -51.87 -37.09 50.88 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.52 1.055 . . . . 10.0 112.274 168.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.32 61.7 pttt 57.61 -56.84 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 128.355 2.662 . . . . 10.0 115.809 -176.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.615 -1.184 . . . . 10.0 112.078 174.728 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.679 0.276 . . . . 10.0 111.306 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -76.44 60.58 1.6 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.27 1.028 . . . . 10.0 111.77 -177.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.6 -59.02 0.51 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.96 1.704 . . . . 10.0 110.07 -165.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 70.32 -58.73 0.54 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.305 2.242 . . . . 10.0 114.495 165.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -73.52 120.25 80.15 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 123.374 0.67 . . . . 10.0 110.508 173.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -86.68 148.59 8.53 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.422 2.081 . . . . 10.0 110.579 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -59.64 -31.07 93.74 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.486 2.124 . . . . 10.0 111.396 175.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.93 -38.87 10.73 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.355 0.979 . . . . 10.0 113.526 169.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.66 -51.0 64.84 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.63 1.215 . . . . 10.0 110.923 174.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 11.5 m -52.79 -49.04 66.39 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.687 -0.633 . . . . 10.0 110.93 178.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.34 97.45 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.842 1.257 . . . . 10.0 113.086 176.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.61 -53.39 24.31 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.527 -0.733 . . . . 10.0 110.186 170.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.09 -47.23 90.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 121.521 -0.737 . . . . 10.0 112.944 178.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -55.27 -52.58 62.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.622 1.101 . . . . 10.0 111.913 175.651 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -64.7 -36.4 84.16 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.628 -0.67 . . . . 10.0 112.653 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -59.35 -54.62 44.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.953 1.301 . . . . 10.0 110.699 170.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 20.0 tpt85 -50.67 -48.47 58.44 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.407 1.083 . . . . 10.0 111.233 176.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -56.88 -62.75 1.53 Allowed 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.109 -0.369 . . . . 10.0 111.897 170.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 43.5 t -51.29 -43.83 61.73 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 -174.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -91.7 3.9 54.01 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 178.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 mm 67.31 -61.55 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.683 1.593 . . . . 10.0 112.262 -173.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.468 1.507 . . . . 10.0 112.23 176.139 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 113.338 0.866 . . . . 10.0 113.338 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 49.0 tp 60.31 -65.92 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.286 2.634 . . . . 10.0 113.707 -177.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.18 177.82 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.694 1.198 . . . . 10.0 110.781 174.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 47.8 p 57.1 -122.51 1.6 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.715 1.206 . . . . 10.0 113.653 173.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -77.22 50.98 3.19 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.537 1.065 . . . . 10.0 113.443 -173.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 tp -57.21 -55.43 34.88 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.849 -0.794 . . . . 10.0 111.942 -176.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 27.9 pt -59.7 -36.96 68.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 122.969 0.507 . . . . 10.0 112.023 177.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.76 -49.1 74.32 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.243 0.617 . . . . 10.0 110.718 176.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.96 -43.52 73.52 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.521 0.729 . . . . 10.0 111.4 172.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.92 -50.11 74.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.754 0.422 . . . . 10.0 112.067 174.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -57.33 -45.28 84.42 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.817 -1.177 . . . . 10.0 112.555 174.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -56.04 -57.12 13.5 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.802 0.841 . . . . 10.0 111.369 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -48.85 -53.52 19.05 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.873 1.269 . . . . 10.0 111.523 173.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -53.28 -59.5 4.48 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.656 1.182 . . . . 10.0 111.746 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.42 -44.91 92.78 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.857 -0.527 . . . . 10.0 111.672 -177.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.51 -57.7 9.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.23 0.468 . . . . 10.0 111.407 169.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 19.5 t-160 -51.34 -47.56 62.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.837 0.855 . . . . 10.0 112.194 178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -56.9 -54.06 50.85 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.293 -0.88 . . . . 10.0 112.106 175.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -57.64 -52.42 65.51 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.597 -0.689 . . . . 10.0 112.09 178.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -56.86 -43.61 81.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.498 1.119 . . . . 10.0 111.877 177.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -65.1 -37.72 88.39 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.04 0.936 . . . . 10.0 112.215 175.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -41.8 96.03 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.726 -0.609 . . . . 10.0 111.159 171.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 34.9 t -64.34 -66.49 0.54 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.652 1.181 . . . . 10.0 112.151 178.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 41.88 25.78 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 128.343 2.657 . . . . 10.0 117.773 174.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.75 -1.595 . . . . 10.0 112.471 -172.721 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 50.91 59.25 4.75 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.261 1.425 . . . . 10.0 111.554 176.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 51.8 mtt85 -141.36 75.89 1.52 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.2 1.8 . . . . 10.0 111.02 -169.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.02 -121.41 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.119 0.568 . . . . 10.0 110.276 -177.038 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.55 128.14 6.44 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 119.348 0.977 . . . . 10.0 110.362 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -84.93 142.97 9.15 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.683 2.256 . . . . 10.0 110.303 176.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.41 -27.86 85.66 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.507 2.138 . . . . 10.0 111.472 175.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.79 -35.89 6.22 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.484 1.04 . . . . 10.0 113.589 166.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -61.33 -53.98 49.77 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.864 1.332 . . . . 10.0 111.171 174.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 m -55.67 -45.82 77.66 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.658 0.783 . . . . 10.0 111.476 176.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -49.78 73.86 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.0 0.52 . . . . 10.0 111.932 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -53.75 -52.52 59.92 Favored 'General case' 0 C--O 1.221 -0.437 0 C-N-CA 123.326 0.65 . . . . 10.0 110.958 173.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.5 mm -54.11 -51.51 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 119.616 1.098 . . . . 10.0 112.084 178.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -58.69 -54.48 46.6 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.571 -0.706 . . . . 10.0 112.333 178.278 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 p -60.02 -43.73 95.08 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.861 -0.525 . . . . 10.0 112.202 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.28 -54.47 30.98 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 124.787 1.235 . . . . 10.0 110.854 170.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -56.97 -46.83 81.9 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 117.795 0.271 . . . . 10.0 111.389 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -56.59 -47.71 78.99 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.52 0.563 . . . . 10.0 112.52 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.32 -51.62 68.1 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.932 0.893 . . . . 10.0 112.695 177.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -82.89 -31.12 28.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.329 1.052 . . . . 10.0 113.823 -171.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 mm 69.02 -55.09 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.599 1.96 . . . . 10.0 112.163 -172.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.243 -1.36 . . . . 10.0 111.038 172.884 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.339 0.59 . . . . 10.0 112.191 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.59 154.16 23.92 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.131 0.572 . . . . 10.0 111.72 175.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t 60.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 127.042 2.137 . . . . 10.0 115.094 169.299 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 17.9 m -60.01 123.62 17.65 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.916 1.287 . . . . 10.0 110.859 -173.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 77.48 -49.44 3.03 Favored Glycine 0 CA--C 1.533 1.195 0 O-C-N 121.245 -0.909 . . . . 10.0 111.375 -171.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tt -43.42 -59.96 1.92 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.723 1.209 . . . . 10.0 111.96 175.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.5 pt -58.58 -44.65 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 O-C-N 121.441 -0.787 . . . . 10.0 112.321 -175.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -59.12 -53.51 57.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.513 0.725 . . . . 10.0 111.068 176.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.63 -44.53 85.62 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.204 1.002 . . . . 10.0 111.9 178.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -59.8 -51.93 67.62 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.652 1.181 . . . . 10.0 111.212 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -55.52 -51.93 65.39 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 122.906 0.482 . . . . 10.0 111.307 176.228 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.64 -57.04 13.61 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.758 0.823 . . . . 10.0 112.112 176.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 tp -48.3 -55.14 11.4 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.024 1.33 . . . . 10.0 111.386 175.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -60.72 -42.97 98.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.268 0.627 . . . . 10.0 112.008 179.514 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -57.82 -55.31 36.55 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.68 -0.637 . . . . 10.0 111.415 175.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.94 -54.85 39.68 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.716 0.406 . . . . 10.0 110.866 177.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -46.68 -55.31 7.94 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.69 0.796 . . . . 10.0 111.903 173.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -56.42 -51.96 66.43 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.44 0.696 . . . . 10.0 112.091 179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -55.58 -50.6 69.65 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.63 -0.669 . . . . 10.0 111.357 177.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 44.0 mt -63.97 -33.2 75.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.408 0.683 . . . . 10.0 112.314 179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -67.84 -42.77 80.9 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.15 -0.968 . . . . 10.0 111.697 172.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -62.45 -36.58 82.86 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.031 0.532 . . . . 10.0 111.546 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -67.35 61.43 0.06 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.724 1.21 . . . . 10.0 111.679 168.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -79.16 51.69 1.21 Allowed 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.635 -1.29 . . . . 10.0 113.153 -172.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.043 -1.456 . . . . 10.0 111.854 -176.65 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.318 0.488 . . . . 10.0 112.318 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 14.6 m120 70.37 -31.16 0.21 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.474 1.657 . . . . 10.0 115.474 171.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.98 162.14 34.27 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.899 1.28 . . . . 10.0 111.69 -173.275 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 162.4 23.06 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.924 0.869 . . . . 10.0 111.878 174.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 24.0 t -79.29 127.89 77.42 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 108.069 -1.086 . . . . 10.0 108.069 171.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.56 133.93 29.22 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.193 1.929 . . . . 10.0 110.522 -174.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -44.62 -33.59 6.99 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 124.485 3.457 . . . . 10.0 115.4 177.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.74 -38.32 9.81 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 123.937 0.78 . . . . 10.0 113.348 171.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -57.08 -55.92 28.44 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.107 0.954 . . . . 10.0 111.696 171.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 20.7 m -54.5 -48.18 72.18 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 121.748 -0.595 . . . . 10.0 111.012 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.71 75.46 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.042 0.537 . . . . 10.0 112.031 175.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 tt -51.9 -55.7 18.56 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.356 1.062 . . . . 10.0 110.92 173.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.36 -52.21 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 118.937 0.789 . . . . 10.0 111.741 178.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -55.01 -54.89 37.19 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.6 -0.687 . . . . 10.0 112.209 178.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 61.6 p -60.58 -37.85 82.66 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.597 0.592 . . . . 10.0 112.597 178.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -61.77 -55.35 31.07 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.092 0.957 . . . . 10.0 111.04 174.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 56.1 mmm-85 -53.83 -46.15 71.09 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.779 0.432 . . . . 10.0 110.953 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -55.05 -57.45 11.65 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 122.015 -0.428 . . . . 10.0 112.089 172.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 38.3 t -50.16 -45.03 52.96 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.405 1.082 . . . . 10.0 112.623 176.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -80.1 -0.28 35.08 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.701 1.001 . . . . 10.0 113.701 177.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 28.2 mm 68.17 -57.51 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 126.685 1.994 . . . . 10.0 112.706 -175.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 pp . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.936 -1.507 . . . . 10.0 112.991 -179.122 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 111.687 0.254 . . . . 10.0 111.687 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.61 -42.49 98.95 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.402 0.681 . . . . 10.0 112.282 175.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t 60.3 -73.31 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 126.632 1.973 . . . . 10.0 111.442 -174.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 73.3 p -46.65 -71.22 0.08 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.147 1.779 . . . . 10.0 111.693 168.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.43 -41.18 24.5 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.572 1.082 . . . . 10.0 112.662 175.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.5 tp -59.54 -59.98 4.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.823 0.812 . . . . 10.0 111.728 175.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 38.2 pt -59.07 -40.91 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 119.322 0.965 . . . . 10.0 112.026 -179.624 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -59.42 -43.52 93.02 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.61 -0.681 . . . . 10.0 111.878 173.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.89 82.2 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.731 -0.606 . . . . 10.0 111.954 172.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.26 -54.66 33.0 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.123 0.874 . . . . 10.0 111.435 173.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -54.06 -54.65 36.43 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.524 0.729 . . . . 10.0 111.523 178.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.2 -55.53 33.55 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.759 0.823 . . . . 10.0 112.064 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 36.0 tp -51.35 -52.58 44.26 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.672 1.189 . . . . 10.0 110.982 178.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -60.74 -46.82 88.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 122.973 0.509 . . . . 10.0 111.939 177.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -57.19 -46.85 82.48 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.641 -0.662 . . . . 10.0 111.87 178.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.76 -58.2 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 121.887 -0.508 . . . . 10.0 110.533 172.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -45.11 -60.32 2.16 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.636 0.606 . . . . 10.0 112.636 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.24 83.04 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.687 -0.633 . . . . 10.0 112.575 -179.523 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -59.79 -52.09 66.97 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.638 1.108 . . . . 10.0 112.294 173.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.17 -39.41 94.56 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.363 -0.836 . . . . 10.0 111.833 177.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.72 -41.89 91.85 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.202 -0.936 . . . . 10.0 111.908 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -37.68 82.65 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.715 1.206 . . . . 10.0 111.548 177.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.49 -63.59 1.1 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.497 0.59 . . . . 10.0 111.024 170.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 64.4 tttm 60.63 -69.52 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.282 1.586 . . . . 10.0 115.282 177.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--O 1.252 1.185 0 C-N-CA 127.203 2.201 . . . . 10.0 113.751 -169.504 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.214 0.531 . . . . 10.0 111.876 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -70.67 59.82 0.22 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.244 1.818 . . . . 10.0 112.829 178.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.5 127.49 35.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.303 1.841 . . . . 10.0 113.671 -168.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -124.82 145.49 49.74 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.248 1.419 . . . . 10.0 112.565 175.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.0 t -81.06 122.84 82.11 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.147 0.979 . . . . 10.0 110.379 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.2 137.33 28.51 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.497 2.131 . . . . 10.0 111.802 -178.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.0 -31.15 8.04 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 124.042 3.161 . . . . 10.0 114.429 169.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.35 -39.48 7.38 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 124.086 0.85 . . . . 10.0 113.53 169.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -58.06 -53.61 56.26 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.043 0.921 . . . . 10.0 111.397 172.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -55.8 -46.08 78.12 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.772 0.829 . . . . 10.0 111.521 176.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -48.09 82.99 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.257 0.623 . . . . 10.0 111.959 176.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.19 -55.95 20.22 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.41 0.684 . . . . 10.0 110.957 172.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.0 mm -50.4 -49.39 24.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 124.006 0.922 . . . . 10.0 111.765 175.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -53.94 -52.48 60.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.678 0.672 . . . . 10.0 111.543 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -63.46 -34.45 77.78 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.398 0.888 . . . . 10.0 113.398 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.09 -53.65 50.3 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.692 0.797 . . . . 10.0 110.193 175.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm105 -53.28 -46.56 69.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.73 1.212 . . . . 10.0 111.39 175.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -55.83 -61.6 2.26 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.97 -0.456 . . . . 10.0 111.511 171.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 52.0 t -49.62 -44.65 47.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.407 1.083 . . . . 10.0 113.437 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -92.81 4.67 53.39 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.837 0.855 . . . . 10.0 113.293 -179.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.3 mm 66.86 -57.11 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.292 1.837 . . . . 10.0 113.008 -173.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.252 1.192 0 C-N-CA 125.32 1.448 . . . . 10.0 111.775 175.472 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.05 0.389 . . . . 10.0 112.05 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.83 66.0 6.18 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.729 -0.607 . . . . 10.0 110.236 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.6 t -41.67 -52.19 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.569 1.548 . . . . 10.0 113.529 -173.041 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 5.8 m -53.3 -34.51 57.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.406 1.082 . . . . 10.0 113.544 177.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.27 -48.01 5.85 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.464 1.031 . . . . 10.0 111.972 174.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -33.67 -65.18 0.19 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.237 1.815 . . . . 10.0 113.233 -175.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.48 87.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -175.034 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.0 -48.72 75.25 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.887 -0.508 . . . . 10.0 111.029 179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.36 -47.54 85.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 122.979 0.511 . . . . 10.0 111.874 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 22.8 mmt-85 -54.23 -54.84 34.52 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.991 0.916 . . . . 10.0 111.536 171.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -55.77 -47.12 77.58 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 122.985 0.514 . . . . 10.0 112.22 178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -60.19 -53.61 55.61 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.279 -0.888 . . . . 10.0 111.52 177.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -52.51 -51.41 59.61 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.612 0.765 . . . . 10.0 111.15 175.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -54.8 -55.2 32.74 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 124.727 1.211 . . . . 10.0 111.979 177.469 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -57.7 -49.25 77.14 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.892 -0.505 . . . . 10.0 111.838 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 34.1 tp -58.81 -53.27 60.27 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.955 -0.466 . . . . 10.0 111.387 178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -51.4 -47.71 62.83 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.886 0.874 . . . . 10.0 111.988 173.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -59.8 -48.27 82.37 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.441 0.696 . . . . 10.0 112.254 177.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -56.68 -49.33 75.39 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.534 -0.729 . . . . 10.0 111.146 174.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.27 -35.57 79.39 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.747 -0.596 . . . . 10.0 112.391 177.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -62.4 -45.79 91.53 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.068 -1.02 . . . . 10.0 111.245 169.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -35.01 75.8 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.806 0.842 . . . . 10.0 111.686 176.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 51.2 t -67.74 60.65 0.07 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.034 1.333 . . . . 10.0 111.293 169.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -82.04 58.2 3.84 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.701 -1.25 . . . . 10.0 111.839 -170.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.251 1.161 0 CA-C-O 116.802 -1.571 . . . . 10.0 112.188 179.165 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.012 0.434 . . . . 10.0 111.536 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.82 111.32 8.85 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.816 -0.553 . . . . 10.0 109.687 175.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -92.33 23.99 3.63 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 178.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -60.48 151.82 27.4 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.093 1.357 . . . . 10.0 113.76 177.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.3 116.99 20.09 Favored Pre-proline 0 CA--C 1.545 0.761 0 O-C-N 121.293 -0.879 . . . . 10.0 110.224 172.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -78.67 148.3 22.72 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 122.083 1.855 . . . . 10.0 111.645 -173.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -45.36 -37.52 14.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.627 2.885 . . . . 10.0 113.225 168.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.84 -39.33 11.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.304 0.954 . . . . 10.0 113.762 171.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -64.75 -50.64 66.07 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.439 1.12 . . . . 10.0 111.306 174.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 9.4 m -53.83 -46.28 71.13 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.518 -0.739 . . . . 10.0 111.273 175.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.74 99.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.093 0.957 . . . . 10.0 112.287 176.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tt -53.61 -56.84 13.7 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.345 -0.847 . . . . 10.0 110.59 169.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mm -54.88 -48.64 74.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 118.747 0.703 . . . . 10.0 111.894 177.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.04 -52.28 63.67 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.492 -0.755 . . . . 10.0 111.688 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 38.8 p -64.69 -29.41 70.4 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.157 0.799 . . . . 10.0 113.157 177.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.06 -56.01 23.28 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.904 0.882 . . . . 10.0 109.956 170.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -54.55 -46.08 73.59 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.059 0.392 . . . . 10.0 112.059 175.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -52.64 -60.04 3.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.018 0.527 . . . . 10.0 111.359 172.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.7 t -52.16 -43.82 64.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.505 0.722 . . . . 10.0 112.169 179.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -74.64 -8.73 57.29 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.866 1.666 . . . . 10.0 113.411 177.692 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 mm 68.67 -56.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 126.422 1.889 . . . . 10.0 111.653 -168.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.348 -1.31 . . . . 10.0 110.814 177.796 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.553 0.692 . . . . 10.0 111.549 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 94.5 mt -55.1 -37.37 66.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.302 1.041 . . . . 10.0 113.056 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.44 -52.57 58.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 118.403 0.547 . . . . 10.0 110.622 178.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 60.3 p -56.66 -50.98 70.48 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 122.054 -0.404 . . . . 10.0 111.108 175.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.01 -52.12 27.52 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.41 0.529 . . . . 10.0 112.223 174.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 67.5 tp -54.6 -59.73 4.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.644 1.178 . . . . 10.0 112.28 176.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -61.92 -43.19 97.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.594 0.634 . . . . 10.0 111.848 -176.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.77 -47.21 86.61 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.529 0.604 . . . . 10.0 111.604 175.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.99 -49.21 76.44 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.728 -0.608 . . . . 10.0 112.182 175.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -55.16 -54.77 39.11 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.446 0.698 . . . . 10.0 112.097 174.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -57.16 -48.3 79.07 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.982 -0.449 . . . . 10.0 111.731 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -60.81 -50.78 72.06 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.888 -0.508 . . . . 10.0 111.884 177.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 51.6 tp -47.95 -57.04 6.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.134 0.974 . . . . 10.0 110.871 174.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -52.63 -59.11 4.86 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.17 0.988 . . . . 10.0 111.66 176.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.99 -47.47 77.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.849 0.859 . . . . 10.0 112.259 -177.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.32 -51.32 53.94 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.912 0.885 . . . . 10.0 109.958 -176.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -52.94 -47.28 68.19 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.752 -0.592 . . . . 10.0 111.95 172.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -58.29 -52.07 67.12 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.436 0.694 . . . . 10.0 111.471 176.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 66.5 tttp -52.04 -49.56 63.17 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.168 0.587 . . . . 10.0 111.49 176.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mp -57.71 -52.26 66.16 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.843 0.457 . . . . 10.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -50.11 -45.48 52.88 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.956 -1.09 . . . . 10.0 111.815 173.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.43 -14.58 42.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.438 1.095 . . . . 10.0 113.567 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 56.0 m -59.35 -31.38 69.15 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.004 1.275 . . . . 10.0 111.439 167.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm 69.43 -60.81 0.46 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.965 1.706 . . . . 10.0 113.22 176.575 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.318 -1.325 . . . . 10.0 111.36 171.871 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.884 0.328 . . . . 10.0 111.884 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -69.49 63.71 0.17 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.699 2.0 . . . . 10.0 113.815 -174.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -72.09 121.04 18.55 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.762 1.625 . . . . 10.0 111.63 174.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -70.62 157.77 37.36 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.123 -0.986 . . . . 10.0 110.157 166.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 p -159.46 111.83 1.51 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.319 0.647 . . . . 10.0 109.642 -176.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -85.75 154.89 10.21 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 122.795 2.33 . . . . 10.0 111.834 -171.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.46 -41.02 10.51 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 124.138 3.225 . . . . 10.0 114.074 171.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.55 -39.03 4.32 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.016 1.293 . . . . 10.0 114.433 171.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -62.08 -56.42 19.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.239 1.02 . . . . 10.0 111.403 173.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.3 m -54.25 -45.47 72.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.434 0.693 . . . . 10.0 111.293 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.29 96.19 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.653 0.781 . . . . 10.0 112.711 176.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.76 -55.24 32.09 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.257 -0.902 . . . . 10.0 110.548 166.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mm -54.02 -46.96 66.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.208 0.913 . . . . 10.0 111.909 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.24 -57.73 10.98 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.748 -0.595 . . . . 10.0 111.917 174.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.3 p -60.89 -37.1 81.04 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.81 -55.7 31.0 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.807 1.243 . . . . 10.0 110.592 171.513 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 -42.73 64.13 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.288 1.035 . . . . 10.0 111.743 178.165 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.37 -63.47 1.27 Allowed 'General case' 0 CA--C 1.541 0.613 0 O-C-N 122.037 -0.415 . . . . 10.0 111.398 169.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -49.37 -46.84 47.69 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.803 1.241 . . . . 10.0 113.479 -173.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -79.76 1.21 27.57 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.618 0.97 . . . . 10.0 113.618 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.4 mm 71.48 -49.23 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 126.204 1.802 . . . . 10.0 112.917 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.8 tp . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.126 -1.416 . . . . 10.0 111.28 168.449 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 119.725 -0.179 . . . . 10.0 111.469 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.38 -45.82 78.74 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.501 -0.749 . . . . 10.0 111.901 170.607 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 p -154.06 151.83 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 N-CA-C 113.711 1.004 . . . . 10.0 113.711 -174.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -36.68 98.73 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 128.319 2.648 . . . . 10.0 114.74 -178.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.82 33.11 86.02 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.597 0.618 . . . . 10.0 114.292 176.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -42.83 -53.29 4.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.957 0.903 . . . . 10.0 113.057 177.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -42.41 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 113.134 0.79 . . . . 10.0 113.134 179.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -59.54 -50.51 73.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.198 0.908 . . . . 10.0 110.873 172.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.89 74.74 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.879 0.472 . . . . 10.0 111.907 176.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -49.78 72.64 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.436 1.094 . . . . 10.0 112.061 177.168 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -56.3 -52.9 62.81 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.968 -0.458 . . . . 10.0 110.769 174.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.47 -57.17 7.5 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.479 0.712 . . . . 10.0 112.13 174.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 tp -48.02 -55.89 9.01 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.649 1.179 . . . . 10.0 111.397 174.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -59.03 -55.75 31.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.256 0.622 . . . . 10.0 112.295 -177.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.1 -47.03 87.61 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.649 0.78 . . . . 10.0 111.289 -179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 48.3 tp -57.79 -51.57 69.02 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.855 -0.528 . . . . 10.0 111.363 175.453 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -47.89 74.81 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.645 -0.659 . . . . 10.0 111.807 175.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 -56.26 -48.32 76.8 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.395 0.678 . . . . 10.0 111.457 176.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.8 -51.44 68.92 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.697 -0.627 . . . . 10.0 111.842 174.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.15 -29.56 70.67 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.558 -0.714 . . . . 10.0 112.842 179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -66.63 -52.98 39.04 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.99 -1.069 . . . . 10.0 110.312 168.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -35.46 65.3 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.105 0.962 . . . . 10.0 112.378 177.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 53.1 t -51.1 -34.19 29.39 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.554 1.142 . . . . 10.0 112.746 171.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . 0.318 7.5 ptpp? 62.09 -50.63 0.15 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.625 2.77 . . . . 10.0 117.826 168.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.503 -1.237 . . . . 10.0 112.061 177.801 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.881 0.372 . . . . 10.0 111.904 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -72.61 61.56 0.52 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.919 1.287 . . . . 10.0 113.022 179.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -73.19 71.38 1.17 Allowed 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.643 0.979 . . . . 10.0 113.643 -173.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.51 69.39 0.6 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.481 1.112 . . . . 10.0 110.362 172.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 10.9 p -75.15 126.89 87.47 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 124.666 1.186 . . . . 10.0 112.519 -174.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 6' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -87.19 155.96 8.25 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.827 2.351 . . . . 10.0 111.189 -177.266 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 7' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.11 -33.01 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.007 3.138 . . . . 10.0 113.79 167.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.29 -41.28 11.54 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 124.038 0.827 . . . . 10.0 113.136 170.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.9 -48.89 76.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.209 1.004 . . . . 10.0 111.531 173.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 10' ' ' THR . . . . . . . . . . . . . 5.9 m -52.56 -49.11 65.6 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.267 0.627 . . . . 10.0 111.15 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.66 87.96 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.903 -0.498 . . . . 10.0 112.043 174.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.82 -63.3 1.19 Allowed 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.44 0.696 . . . . 10.0 111.476 174.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 11.0 tp -58.2 -39.55 73.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 CA-C-N 119.621 1.1 . . . . 10.0 112.5 -176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -57.37 -54.46 46.6 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.389 -0.819 . . . . 10.0 111.663 171.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -61.89 -30.88 71.17 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.334 -0.854 . . . . 10.0 113.185 176.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.05 -52.94 61.92 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.691 1.196 . . . . 10.0 110.361 172.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -52.43 -50.69 62.07 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.057 0.543 . . . . 10.0 111.023 173.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.45 -42.26 82.13 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 112.649 0.611 . . . . 10.0 112.649 175.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -66.37 -55.92 13.57 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.67 -1.268 . . . . 10.0 112.916 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -81.41 -32.29 32.81 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.827 1.047 . . . . 10.0 113.827 -173.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 mm 67.94 -60.22 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.683 1.593 . . . . 10.0 111.503 -168.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 35.9 pt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 124.059 0.944 . . . . 10.0 112.489 176.642 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 1' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 111.737 0.273 . . . . 10.0 111.737 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.68 -68.54 0.53 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.042 0.537 . . . . 10.0 111.756 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 52.7 t -71.49 154.62 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 123.472 0.709 . . . . 10.0 111.293 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -43.77 98.85 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.926 1.69 . . . . 10.0 113.196 175.611 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.59 31.64 80.55 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 123.474 0.559 . . . . 10.0 114.157 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 tp -38.48 -52.25 1.58 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.81 1.644 . . . . 10.0 113.218 177.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 20.7 pt -57.2 -43.15 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 O-C-N 121.526 -0.734 . . . . 10.0 112.773 179.545 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.37 -47.1 71.37 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.685 -0.634 . . . . 10.0 110.353 177.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.57 -47.6 76.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.335 0.654 . . . . 10.0 112.104 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -54.18 -53.56 51.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.045 1.338 . . . . 10.0 111.945 173.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -57.51 -48.91 77.98 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.012 -0.43 . . . . 10.0 111.468 177.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 12' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -58.42 -53.85 53.68 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.835 0.854 . . . . 10.0 112.049 177.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -44.85 -61.68 1.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.869 1.668 . . . . 10.0 110.352 173.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.0 -57.01 13.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.502 0.721 . . . . 10.0 112.424 -178.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.35 -41.14 96.9 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.673 -0.642 . . . . 10.0 111.984 -175.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.81 -53.86 53.4 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.637 -0.664 . . . . 10.0 110.769 173.275 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -51.9 -47.9 64.4 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.964 -0.46 . . . . 10.0 112.098 173.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -53.99 -53.91 46.35 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.805 0.842 . . . . 10.0 111.76 177.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 19' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -55.71 -51.11 68.44 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.75 -0.594 . . . . 10.0 111.727 177.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 mt -60.72 -39.83 90.06 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.662 -0.649 . . . . 10.0 112.287 178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -66.17 -31.52 72.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.555 1.542 . . . . 10.0 112.547 175.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -70.88 -46.35 62.75 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.806 -0.559 . . . . 10.0 111.25 167.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 23' ' ' CYS . . . . . . . . . . . . . 32.3 t -56.18 -61.18 2.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.401 1.48 . . . . 10.0 113.927 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 pttm 22.04 78.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.78 2.141 . . . . 10.0 116.78 177.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 93.8 t . . . . . 0 C--O 1.252 1.208 0 O-C-N 120.645 -1.284 . . . . 10.0 111.397 -179.682 . . . . . . . . 0 0 . 1 stop_ save_